SCHEMBL797872

SCHEMBL797872

CC(C)(C)C1CCCCCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.33
CYP1A2 P05177 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
MLNR O43193 1/20 0.33
ABCB11 O95342 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL22260036 1.00 CYP2D6 (0.33) CYP2D6CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL24922624 1.00 CYP2D6 (0.33) CYP2D6CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL10326679 0.97 CYP2D6 (0.34) CYP2D6CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL1547510 0.97 CYP2D6 (0.34) CYP2D6CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL3229383 0.97 CYP2D6 (0.34) CYP2D6CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL164043 0.90
SCHEMBL1705094 0.90
SCHEMBL1704716 0.90
Hydrochloric Acid SCHEMBL5241681 0.87 KDM4E (0.42) CYP2D6CYP1A2KDM4ENPC1HPGD
Methane SCHEMBL28330275 0.87 KDM4E (0.38) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-20230037255-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LTD (IE) 2023-02-02 US disclosed
US-20200291003-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS SYGNATURE DISCOVERY LIMITED (GB) 2020-09-17 US disclosed
US-20180148440-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2018-05-31 US disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20130060020-A1 Compounds useful for treating neurodegenerative disorders SATORI PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20130060020-A1 Compounds useful for treating neurodegenerative disorders SATORI PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20130060023-A1 Compounds useful for treating neurodegenerative disorders SATORI PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20130060023-A1 Compounds useful for treating neurodegenerative disorders SATORI PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20130060021-A1 Compounds useful for treating neurodegenerative disorders SATORI PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 US disclosed
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 US disclosed
US-8093396-B2 Benzthiazole inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2012-01-10 US disclosed
US-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2011-12-01 US disclosed
US-20100183743-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 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 (11 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-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 CYP2D6 361/4885CYP1A2 110/4885SLC6A2 3987/4885
US-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 CYP2D6 2027/4885CYP1A2 2588/4885SLC6A2 4125/4885
US-20180148440-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, SLC8B1, P2RX1 CYP2D6 635/4885CYP1A2 1086/4885SLC6A2 167/4885
US-20100183743-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP6 CYP2D6 3152/4885CYP1A2 4162/4885SLC6A2 4056/4885
US-20130060021-A1 Compounds useful for treating neurodegenerative disorders SNCA, HTT, CLN6 CYP2D6 3750/4885CYP1A2 3461/4885SLC6A2 66/4885
US-20130060020-A1 Compounds useful for treating neurodegenerative disorders SNCA, HTT, SMN1; SMN2 CYP2D6 2973/4885CYP1A2 3381/4885SLC6A2 30/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 CYP2D6 361/4885CYP1A2 110/4885SLC6A2 3987/4885
US-20130060023-A1 Compounds useful for treating neurodegenerative disorders SNCA, HTT, SMN1; SMN2 CYP2D6 2973/4885CYP1A2 3381/4885SLC6A2 30/4885
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS S1PR1, S1PR3, S1PR2 CYP2D6 3865/4885CYP1A2 1837/4885SLC6A2 3188/4885
US-20200291003-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS NLRP3, NOD1, NLRP1 CYP2D6 594/4885CYP1A2 577/4885SLC6A2 2194/4885
US-20230037255-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS NLRP3, NOD1, NLRP1 CYP2D6 602/4885CYP1A2 584/4885SLC6A2 2173/4885

“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.