SCHEMBL3669951

SCHEMBL3669951

COC(=O)c1cccc(N)c1NCCCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
HSD17B10 Q99714 6/20 0.51
CFTR P13569 1/20 0.51
KDM4E B2RXH2 6/20 0.48
GLA P06280 2/20 0.48
POLB P06746 1/20 0.43
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
RIPK1 Q13546 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL3666677 0.96 ALDH1A1 (0.53) ALDH1A1HSD17B10CFTRKDM4EGLA
SCHEMBL3672546 0.90 KDM4E (0.59) ALDH1A1HSD17B10CFTRKDM4EGLA
SCHEMBL1467415 0.86 ALDH1A1 (0.51) ALDH1A1HSD17B10CFTRKDM4EGLA
SCHEMBL23286982 0.83 ALDH1A1 (0.54) ALDH1A1HSD17B10CFTRKDM4EGLA
SCHEMBL28453644 0.80 ALDH1A1 (0.54) ALDH1A1HSD17B10CFTRKDM4EGLA
SCHEMBL3668042 0.79 SMN1; SMN2 (0.45) ALDH1A1KDM4EGLALMNAMAPT
SCHEMBL3665219 0.78 KDM4E (0.46) ALDH1A1HSD17B10KDM4EPOLBLMNA
SCHEMBL3669166 0.78 POLB (0.42) ALDH1A1HSD17B10CFTRKDM4EGLA
SCHEMBL27829710 0.77 KDM4E (0.79) ALDH1A1HSD17B10KDM4EGLAPOLB
SCHEMBL28451153 0.76 ALDH1A1 (0.57) ALDH1A1HSD17B10CFTRKDM4EGLA

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 ALDH1A1 2741/4885HSD17B10 1553/4885CFTR 1760/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 ALDH1A1 4352/4885HSD17B10 1663/4885CFTR 2190/4885

“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.