SCHEMBL3669166

SCHEMBL3669166

COC(=O)c1ccc(Cl)c(N)c1NCCCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ABL1 P00519 1/20 0.41
KDM4E B2RXH2 4/20 0.40
GLA P06280 2/20 0.40
CYP4A11 Q02928 3/20 0.38
CYP4F2 P78329 2/20 0.38
GAA P10253 5/20 0.37
PTGER4 P35408 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 4/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
CFTR P13569 1/20 0.36
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA7 P43166 2/20 0.35

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
SCHEMBL3673643 0.96 ABL1 (0.42) POLBABL1KDM4EGLACYP4A11
SCHEMBL3670184 0.91 KDM4E (0.49) ABL1KDM4EGLAGAAPTGER4
SCHEMBL3670391 0.88 ABL1 (0.42) ABL1KDM4EGLAGAAPTGER4
SCHEMBL3669951 0.78 ALDH1A1 (0.51) POLBABL1KDM4EGLACYP4A11
SCHEMBL4091005 0.75 POLB (0.37) POLBKDM4EGLACYP4A11CYP4F2
SCHEMBL3666677 0.74 ALDH1A1 (0.53) POLBABL1KDM4EGLACYP4A11
SCHEMBL3667277 0.74 ABL1 (0.38) ABL1KDM4EGLAGAAPTGER4
SCHEMBL3668272 0.74 KDM4E (0.40) POLBABL1KDM4EGLAGAA
SCHEMBL3667824 0.72 ALDH1A1 (0.41) POLBKDM4EGLAGAAALDH1A1
SCHEMBL6332541 0.72 ABL1 (0.54) POLBABL1KDM4EGLAGAA

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 8 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
CN-101981031-A Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL 2011-02-23 CN 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
EP-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO 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 POLB 4669/4885ABL1 1067/4885KDM4E 2435/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 POLB 4699/4885ABL1 1709/4885KDM4E 3544/4885

“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.