SCHEMBL3756236

SCHEMBL3756236

O=C(O)C=Cc1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.63
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
ITGAL P20701 2/20 0.38
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 2/20 0.36
TBXA2R P21731 1/20 0.36
PTGFR P43088 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
PTGIR P43119 1/20 0.36
PTGDR Q13258 1/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3756232 1.00 CRHR1 (0.63) CRHR1ITGB2ICAM1ITGALRAB9A
SCHEMBL3672054 0.88 CRHR1 (0.61) CRHR1ITGB2ICAM1ITGALRAB9A
SCHEMBL3672051 0.88 CRHR1 (0.61) CRHR1ITGB2ICAM1ITGALRAB9A
SCHEMBL13058241 0.86 CRHR1 (0.64) CRHR1RAB9AALDH1A1MAPT
SCHEMBL3747844 0.86 CRHR1 (0.69) CRHR1
SCHEMBL3753682 0.82 CRHR1 (0.76) CRHR1
SCHEMBL3753304 0.80 CRHR1 (0.76) CRHR1ALDH1A1
SCHEMBL3752879 0.79 CRHR1 (0.68) CRHR1
SCHEMBL3758769 0.78 CRHR1 (0.67) CRHR1ALDH1A1
SCHEMBL3672341 0.77 CRHR1 (0.67) 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 CRHR1 1/4885ITGB2 4271/4885ICAM1 4880/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 CRHR1 2/4885ITGB2 4576/4885ICAM1 4880/4885

“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.