SCHEMBL2525691

SCHEMBL2525691

[O]C1C=CCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.35
ANPEP P15144 2/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 1/20 0.34
ACP3 P15309 1/20 0.34
HRH1 P35367 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
RET P07949 1/20 0.32
HTR2C P28335 1/20 0.32
CES1 P23141 1/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL3426562 0.77 HTR2A (0.38) HTR2AANPEPMAOAMAOBACP3
SCHEMBL4440305 0.74 HTR2A (0.35) HTR2AANPEPMAOAMAOBACP3
SCHEMBL22328101 0.74 HTR2A (0.35) HTR2AANPEPHRH1RETHTR2C
SCHEMBL4925778 0.74 HTR2A (0.45) HTR2AANPEPHRH1RETHTR2C
SCHEMBL31276808 0.74 HTR2A (0.35) HTR2AANPEPMAOAMAOBACP3
SCHEMBL8849849 0.74 HTR2A (0.36) HTR2AHRH1HTR2CMAPTALDH1A1
SCHEMBL3705916 0.74 HTR2A (0.35) HTR2AANPEPHRH1RETHTR2C
SCHEMBL14669221 0.74 ANPEP (0.32) HTR2AANPEPACP3HDAC4HDAC7
SCHEMBL31141576 0.72 TSHR (0.40) ACP3HDAC4HDAC7HDAC5MAPT
SCHEMBL3457904 0.72 TSHR (0.40) ACP3HDAC4HDAC7HDAC5MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039500-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-18 US disclosed
US-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 US disclosed
EP-2125753-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
WO-2008082003-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 WO 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 (1 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-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS CRHR1, CRHR2, CRH HTR2A 100/4885ANPEP 797/4885MAOA 284/4885

“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.