SCHEMBL4931809

SCHEMBL4931809

CC(C)(C)c1ccc(CNc2nc3ccc(Cl)cc3n2-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
TRPC5 Q9UL62 1/20 0.43
PPARG P37231 2/20 0.42
KCNN3 Q9UGI6 1/20 0.41
P2RX3 P56373 1/20 0.41
MCHR1 Q99705 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX7 Q99572 1/20 0.39
DRD2 P14416 1/20 0.38
TBXA2R P21731 1/20 0.38
CYP2C9 P11712 2/20 0.37
CACNA1H O95180 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
GCGR P47871 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL4927317 0.92 P2RX3 (0.41) CYP3A4EPHX2NR1H4TRPC5PPARG
Hydrochloric Acid SCHEMBL4930110 0.91 P2RX3 (0.41) CYP3A4EPHX2NR1H4TRPC5PPARG
SCHEMBL4922605 0.90 TRPC5 (0.45) CYP3A4EPHX2NR1H4TRPC5PPARG
SCHEMBL4930660 0.89 TP53 (0.47) CYP3A4P2RX3NPC1RAB9AKMT2A
SCHEMBL4921521 0.89 P2RX3 (0.40) PPARGP2RX3NPC1RAB9AKMT2A
SCHEMBL14463583 0.89 EPHX2 (0.43) CYP3A4EPHX2NR1H4TRPC5PPARG
SCHEMBL4930629 0.88 NPC1 (0.50) EPHX2NR1H4P2RX3NPC1RAB9A
SCHEMBL14315833 0.87 P2RX3 (0.40) P2RX3NPC1RAB9AKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4932676 0.87 NPC1 (0.49) EPHX2NR1H4P2RX3NPC1RAB9A
SCHEMBL4924591 0.86 NPC1 (0.41) P2RX3NPC1RAB9AKMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 EP 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 (1 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 CYP3A4 1846/4885EPHX2 1962/4885NR1H4 67/4885

“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.