SCHEMBL10326679

SCHEMBL10326679

CC(C)(C)[C@@H]1CCCCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.34
CYP1A2 P05177 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
FDPS P14324 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
MLNR O43193 1/20 0.30
ABCB11 O95342 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1547510 1.00 CYP2D6 (0.34) CYP2D6CYP1A2KDM4ENPC1HPGD
SCHEMBL3229383 1.00 CYP2D6 (0.34) CYP2D6CYP1A2KDM4ENPC1HPGD
SCHEMBL22260036 0.97 CYP2D6 (0.33) CYP2D6CYP1A2KDM4ENPC1HPGD
SCHEMBL797872 0.97 CYP2D6 (0.33) CYP2D6CYP1A2KDM4ENPC1HPGD
SCHEMBL24922624 0.97 CYP2D6 (0.33) CYP2D6CYP1A2KDM4ENPC1HPGD
SCHEMBL1704716 0.92
SCHEMBL1705094 0.92
SCHEMBL164043 0.92
Methane SCHEMBL28330275 0.90 KDM4E (0.38) CYP2D6CYP1A2KDM4ENPC1HPGD
Hydrochloric Acid SCHEMBL5241681 0.90 KDM4E (0.42) CYP2D6CYP1A2KDM4ENPC1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2023-11-09 US disclosed
US-11753397-B2 Cereblon binders for the degradation of ikaros C4 THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 US disclosed
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 US disclosed
US-11708320-B2 Environmentally-friendly hydroazidation of olefins GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-07-25 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors G1 THERAPEUTICS, INC. (US) 2023-05-09 US disclosed
US-20220072006-A1 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS BEETLEJUICE SA LLC, AS PURCHASER AGENT 2022-03-10 US disclosed
US-11197864-B2 Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis Biohaven Pharmaceutical Holding Company Limited (US) 2021-12-14 US disclosed
US-20180044329-A1 3-SUBSTITUTED-1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-02-15 US disclosed
US-20180044305-A1 3-SUBSTITUTED 1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-02-15 US disclosed
US-20180044305-A1 3-SUBSTITUTED 1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-02-15 US disclosed
US-9725427-B2 Prodrugs of riluzole and their method of use Biohaven Pharmaceutical Holding Company Limited (US) 2017-08-08 US disclosed
US-9657022-B2 7-OXO-1,6-diazabicyclo[3.2.1]octane derivatives and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-05-23 US disclosed
US-9657022-B2 7-OXO-1,6-diazabicyclo[3.2.1]octane derivatives and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-05-23 US disclosed
US-20170044159-A1 7-OXO-1,6-DIAZABICYCLO[3.2.1 ]OCTANE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2017-02-16 US disclosed
US-20170044159-A1 7-OXO-1,6-DIAZABICYCLO[3.2.1 ]OCTANE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2017-02-16 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 CYP2D6 1125/4885CYP1A2 1183/4885KDM4E 4195/4885
US-20180044305-A1 3-SUBSTITUTED 1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS PDCD1, CD274, PDCD1LG2 CYP2D6 1198/4885CYP1A2 689/4885KDM4E 2493/4885
US-11197864-B2 Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis CYP1A2, UGT1A1, SMN1; SMN2 CYP2D6 5/4885CYP1A2 1/4885KDM4E 2381/4885
US-11718638-B2 Compounds, compositions and methods for synthesis ALKBH1, DUT, RNGTT CYP2D6 888/4885CYP1A2 4059/4885KDM4E 2103/4885
US-11753397-B2 Cereblon binders for the degradation of ikaros CRBN, IKZF1, IKZF3 CYP2D6 4691/4885CYP1A2 4596/4885KDM4E 486/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 CYP2D6 361/4885CYP1A2 110/4885KDM4E 2583/4885
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION STUB1, MDM2, USP30 CYP2D6 2989/4885CYP1A2 2991/4885KDM4E 1975/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 CYP2D6 3211/4885CYP1A2 2070/4885KDM4E 791/4885
US-20170044159-A1 7-OXO-1,6-DIAZABICYCLO[3.2.1 ]OCTANE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS CASP7, ODC1, CASP1 CYP2D6 43/4885CYP1A2 241/4885KDM4E 4179/4885
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors CDK2, CCNI, CCNK CYP2D6 1097/4885CYP1A2 1500/4885KDM4E 1388/4885
US-20220072006-A1 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CYP1A2, CYP3A5, UGT1A1 CYP2D6 4/4885CYP1A2 1/4885KDM4E 2151/4885
US-11708320-B2 Environmentally-friendly hydroazidation of olefins HAO2, AHR, HMOX1 CYP2D6 101/4885CYP1A2 35/4885KDM4E 3404/4885
US-20180044329-A1 3-SUBSTITUTED-1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS PDCD1, CD274, PDCD1LG2 CYP2D6 1187/4885CYP1A2 503/4885KDM4E 2477/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.