SCHEMBL153127

SCHEMBL153127

[C]1NCCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HTR2C P28335 1/20 0.38
MAOB P27338 2/20 0.34
PNMT P11086 1/20 0.34
CD44 P16070 1/20 0.34
MAPT P10636 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
CYP2A6 P11509 1/20 0.32
MAOA P21397 1/20 0.32
KIF11 P52732 1/20 0.32
PDPK1 O15530 1/20 0.31
PARP1 P09874 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31

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
SCHEMBL10321512 0.94 TSHR (0.46) TSHRHTR2CMAOBPNMTCD44
SCHEMBL2998 0.87 HTR2C (0.46) TSHRHTR2CMAOBPNMTCD44
SCHEMBL21726 0.73
SCHEMBL2746647 0.73
SCHEMBL10321123 0.71 TSHR (0.48) TSHRHTR2CMAOBPNMTCD44
SCHEMBL4505345 0.67 HTR2C (0.70) TSHRHTR2CMAOBPNMTCD44
SCHEMBL286696 0.67 TSHR (0.48) TSHRHTR2CMAOBMAPTCYP2A6
SCHEMBL3884 0.67 TSHR (0.48) TSHRHTR2CMAOBMAPTCYP2A6
SCHEMBL25404307 0.66 TSHR (0.93) TSHRHTR2CMAOBPNMTCD44
SCHEMBL62945 0.65 TSHR (0.52) TSHRHTR2CMAOBMAPTCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303567-A1 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY ANGION BIOMEDICA CORP 2013-11-14 US claimed
US-8513433-B2 Small molecule inhibitors of PARP activity ANGION BIOMEDICA CORP. (US) 2013-08-20 US claimed
US-20120184533-A1 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY ANGION BIOMEDICA CORP. (US) 2012-07-19 US claimed
US-11731954-B2 Histone demethylase inhibitors CELGENE QUANTICEL RES INC (US) 2023-08-22 US disclosed
US-20210238161-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2021-08-05 US disclosed
US-11001568-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2021-05-11 US disclosed
US-20200157077-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-21 US disclosed
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
US-8901309-B2 Fused triazoles for the treatment or prophylaxis of mild cognitive impairment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-27 US disclosed
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 EP disclosed
US-20120184533-A1 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY ANGION BIOMEDICA CORP. (US) 2012-07-19 US disclosed
EP-2450352-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2012-05-09 EP disclosed
US-20120088748-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 US disclosed
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 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 (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-20090270361-A1 Substituted pyrazole derivatives and use thereof CBR3, CBR1, NOX5 TSHR 874/4885HTR2C 514/4885MAOB 288/4885
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP TSHR 4610/4885HTR2C 2223/4885MAOB 824/4885
US-11001568-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 TSHR 2436/4885HTR2C 3952/4885MAOB 834/4885
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 TSHR 1751/4885HTR2C 1561/4885MAOB 2966/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 TSHR 2302/4885HTR2C 10/4885MAOB 585/4885
US-11731954-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 TSHR 2436/4885HTR2C 3952/4885MAOB 834/4885
US-20130303567-A1 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY PARP1, PARP11, PARP15 TSHR 4709/4885HTR2C 4262/4885MAOB 643/4885
US-20120184533-A1 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY PARP1, PARP11, PARP15 TSHR 4709/4885HTR2C 4262/4885MAOB 643/4885
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP TSHR 4610/4885HTR2C 2223/4885MAOB 824/4885
US-20120088748-A1 HETEROCYCLIC COMPOUNDS SLC6A2, MAOB, MAOA TSHR 757/4885HTR2C 12/4885MAOB 2/4885
US-20200157077-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, BMI1 TSHR 2436/4885HTR2C 3952/4885MAOB 834/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 TSHR 2018/4885HTR2C 318/4885MAOB 983/4885
US-20210238161-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, BMI1 TSHR 2436/4885HTR2C 3952/4885MAOB 834/4885

“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.