SCHEMBL3104503

SCHEMBL3104503

Cc1oc(-c2ccc(F)cc2)cc1C(Oc1ccc(C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
SSTR5 P35346 3/20 0.36
NR1H4 Q96RI1 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PDE5A O76074 1/20 0.36
NR3C2 P08235 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNH2 Q12809 1/20 0.36
TP53 P04637 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
SCHEMBL3106997 0.91 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL3106914 0.91 KMT2A (0.42) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL3106998 0.90 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL3102358 0.90 GCGR (0.44) NPC1RAB9ASMN1; SMN2HPGDSSTR5
SCHEMBL3103092 0.90 PPARD (0.41) NPC1RAB9ASMN1; SMN2HPGDNPSR1
SCHEMBL3096197 0.88 SMN1; SMN2 (0.37) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL3101717 0.88 KMT2A (0.43) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL3093662 0.88 OXTR (0.35) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL3093889 0.88 SMN1; SMN2 (0.35) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL3101624 0.86 GCGR (0.48) NPC1RAB9ASMN1; SMN2HPGDNPSR1

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 NPC1 3994/4885RAB9A 3790/4885SMN1; SMN2 4692/4885

“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.