SCHEMBL3099232

SCHEMBL3099232

Cc1oc(-c2ccc(C(F)(F)F)cn2)cc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
AGTR1 P30556 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TRPV3 Q8NET8 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2B6 P20813 1/20 0.37
PDE2A O00408 3/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
GRM4 Q14833 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
AGBL2 Q5U5Z8 1/20 0.34
PTGES O14684 3/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL1745043 0.79 CYP1A1 (0.44) CYP1A2CYP2B6KIF11
SCHEMBL3110599 0.77 PTGER4 (0.50) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL3102205 0.76 KDM4E (0.42) KDM4ENPSR1KMT2ANPC1AGTR1
SCHEMBL7941960 0.74 P2RX7 (0.46) KDM4ENPSR1KMT2AMEN1NPC1
SCHEMBL1198870 0.72 ALDH1A1 (0.46) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL3106623 0.71 P2RX7 (0.30) P2RX7
SCHEMBL3109799 0.70 PDE2A (0.41) KDM4ENPSR1TRPV3PDE2A
SCHEMBL811160 0.68 NPSR1 (0.53) KDM4ENPSR1KMT2ANPC1RAB9A
SCHEMBL29595709 0.68 NPSR1 (0.53) KDM4ENPSR1KMT2ANPC1RAB9A
SCHEMBL4659534 0.68 GRM4 (0.49) KDM4ENPSR1NPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR KDM4E 2280/4885NPSR1 309/4885KMT2A 2159/4885

“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.