SCHEMBL3747593

SCHEMBL3747593

C=CCn1c(=O)[nH]c2c(Cl)ccc(C(CC)CC)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA2B P29275 1/20 0.35
POLB P06746 3/20 0.34
ALDH1A1 P00352 4/20 0.34
USP2 O75604 1/20 0.33
ATM Q13315 1/20 0.33
CRHR1 P34998 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
APLNR P35414 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 3/20 0.31
TSHR P16473 1/20 0.31
THRB P10828 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
SCHEMBL3667926 0.91 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6ADORA3ADORA2B
SCHEMBL3220263 0.80 GRIN2D (0.35) CYP1A2CYP3A4CYP2D6CRHR1LMNA
SCHEMBL2084414 0.79 CRHR1 (0.40) ALDH1A1CRHR1KMT2AMEN1TSHR
SCHEMBL3746600 0.77 CYP1A2 (0.39) CYP1A2ADORA3ADORA2BPOLBALDH1A1
SCHEMBL3208581 0.76 ALDH1A1 (0.46) POLBALDH1A1CRHR1MAPTKMT2A
SCHEMBL3665042 0.74 POLB (0.44) CYP1A2ADORA3ADORA2BPOLBALDH1A1
SCHEMBL3754756 0.73 TNF (0.41) CRHR1
SCHEMBL3747677 0.73 CRHR1 (0.43) CYP1A2CYP3A4CYP2D6ADORA3ADORA2B
SCHEMBL3736376 0.72 CRHR1 (0.36) CRHR1
SCHEMBL2083841 0.70 CRHR1 (0.33) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US disclosed
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 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 (2 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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 CYP1A2 320/4885CYP3A4 570/4885CYP2D6 627/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 CYP1A2 816/4885CYP3A4 1497/4885CYP2D6 1576/4885

“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.