SCHEMBL3675414

SCHEMBL3675414

CCc1nc(C)nc(CC)c1NC(=S)Nc1c(Cl)ccc(C(=O)OC)c1NCCCO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
MAPT P10636 5/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
P2RX7 Q99572 1/20 0.34
HTT P42858 2/20 0.33
SIRT5 Q9NXA8 1/20 0.33
PTGS2 P35354 1/20 0.31
ATM Q13315 1/20 0.31
CNR1 P21554 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
RIPK1 Q13546 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 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
SCHEMBL3671045 0.87 P2RX7 (0.36) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL3668562 0.83 KMT2A (0.35) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL3664402 0.82 KMT2A (0.38) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL3672205 0.80 ALDH1A1 (0.38) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL3673655 0.80 ALDH1A1 (0.37) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL3667958 0.80 SIRT5 (0.38) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL3674113 0.80 ALDH1A1 (0.37) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL3764234 0.79 ALDH1A1 (0.36) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL3669332 0.79 MAPT (0.41) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL4090979 0.78 ALDH1A1 (0.35) NPC1RAB9AMAPTALDH1A1KMT2A

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 7 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
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 NPC1 1492/4885RAB9A 1668/4885MAPT 4205/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 NPC1 1970/4885RAB9A 2170/4885MAPT 4194/4885

“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.