SCHEMBL3730729

SCHEMBL3730729

COC(=O)c1ccc(Cl)c2nc(Nc3ccc(Cl)cc3C(F)(F)F)n(CCCO)c12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX3 P56373 7/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
CRHR1 P34998 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
TRPC1 P48995 1/20 0.34
TRPC4 Q9UBN4 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
NOTUM Q6P988 1/20 0.33

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
SCHEMBL3721895 0.84 P2RX3 (0.34) SMN1; SMN2P2RX3HTTCRHR1ALDH1A1
SCHEMBL3727607 0.82 MAP2K1 (0.40) P2RX3LMNAHTTALDH1A1
SCHEMBL3723545 0.82 CRHR1 (0.41) P2RX3CRHR1
SCHEMBL3722184 0.80 P2RX7 (0.39) RAB9ASMN1; SMN2P2RX3HTTCRHR1
SCHEMBL3748268 0.80 MTNR1A (0.35) CRHR1
SCHEMBL3752719 0.79 CRHR1 (0.37) RAB9ATP53SMN1; SMN2P2RX3CRHR1
SCHEMBL3727511 0.79 CRHR1 (0.49) CRHR1
SCHEMBL3727780 0.79 SMN1; SMN2 (0.36) RAB9AMAPTSMN1; SMN2P2RX3KDM4E
SCHEMBL3723407 0.78 CRHR1 (0.37) P2RX3CRHR1
SCHEMBL3728088 0.78 ALDH1A1 (0.33) RAB9ATP53MAPTSMN1; SMN2P2RX3

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 MRGPRX4 15/4885RAB9A 1668/4885TP53 4476/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 MRGPRX4 25/4885RAB9A 2170/4885TP53 4318/4885

“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.