SCHEMBL7897828

SCHEMBL7897828

CC(C)NCCOc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.67
HTR1B P28222 3/20 0.62
HTR1D P28221 1/20 0.62
DRD4 P21917 5/20 0.57
DRD2 P14416 4/20 0.57
DRD3 P35462 4/20 0.57
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
CYP2D6 P10635 1/20 0.54
ADRB3 P13945 1/20 0.54
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
KCNA3 P22001 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL10990052 0.83 SIGMAR1 (0.61) SIGMAR1HTR1BHTR1DDRD4DRD2
SCHEMBL13996938 0.82 KDM4E (0.56) SIGMAR1HTR1BDRD4DRD2DRD3
SCHEMBL13996940 0.82 DRD2 (0.61) SIGMAR1DRD4DRD2DRD3KDM4E
SCHEMBL10815165 0.81 KMT2A (0.60) SIGMAR1KDM4EALDH1A1TDP1ADRB2
SCHEMBL15578427 0.81 KMT2A (0.53) SIGMAR1HTR1BKDM4EALDH1A1TDP1
SCHEMBL10816443 0.81 ADRB2 (0.66) SIGMAR1HTR1BDRD4DRD2DRD3
SCHEMBL10993048 0.81 DRD2 (0.56) SIGMAR1HTR1BDRD4DRD2DRD3
SCHEMBL7444284 0.81 ADRB2 (0.49) SIGMAR1HTR1BHTR1DKDM4EALDH1A1
SCHEMBL10925063 0.81 DRD4 (0.56) SIGMAR1HTR1BDRD4DRD2DRD3
SCHEMBL10921975 0.80 PPARG (0.56) HTR1BDRD3KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
WO-2023083343-A1 POLYCYCLIC COMPOUNDS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2023-05-19 WO disclosed
US-11241013-B2 Benzimidazole compounds as agricultural chemicals REDAG CROP PROT LTD (GB) 2022-02-08 US disclosed
US-20210204547-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROT LTD (GB) 2021-07-08 US disclosed
US-20210130473-A1 TGFßR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2021-05-06 US disclosed
EP-2955575-B1 RESIST COMPOSITION, RESIST PATTERN FORMATION METHOD, AND POLYPHENOL DERIVATIVE USED IN SAME MITSUBISHI GAS CHEMICAL CO (JP) 2020-07-29 EP disclosed
WO-2017147174-A1 HETEROARYL CONTAINING BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2017-08-31 WO disclosed
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
US-7919623-B2 Naphthyridine derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2011-04-05 US disclosed
US-7446196-B2 Leptomycin compounds KOSAN BIOSCIENCES, INCORPORATED (US) 2008-11-04 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
EP-0066987-B1 N-(ARYLOXYALKYL)-N'-(AMINO-ALKYL) UREAS A.H. ROBINS COMPANY, INCORPORATED (US) 1986-08-27 EP disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
US-4558155-A N-(Aryloxyalkyl)-N'-(aminoalkyl)thioureas A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-10 US disclosed
US-4500529-A ANTIARRHYTHMIA AGENT A. H. ROBINS COMPANY, INCORPORATED (US) 1985-02-19 US disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP disclosed
EP-0066987-A2 N-(aryloxyalkyl)-N'-(amino-alkyl) ureas A.H. ROBINS COMPANY, INCORPORATED (US) 1982-12-15 EP 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 (6 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-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 SIGMAR1 139/4885HTR1B 83/4885HTR1D 75/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 SIGMAR1 2905/4885HTR1B 3116/4885HTR1D 2724/4885
US-11241013-B2 Benzimidazole compounds as agricultural chemicals CYP3A4, CYP2C8, CYP2E1 SIGMAR1 3869/4885HTR1B 2462/4885HTR1D 2073/4885
US-20210130473-A1 TGFßR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF TGFBR2, ASGR1, TGFBR1 SIGMAR1 2970/4885HTR1B 4467/4885HTR1D 4613/4885
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF CACNA1E, CACNA1B, CACNA1S SIGMAR1 119/4885HTR1B 436/4885HTR1D 214/4885
US-20210204547-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS CYP3A4, CYP2C8, CYP2E1 SIGMAR1 3869/4885HTR1B 2462/4885HTR1D 2073/4885

“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.