SCHEMBL3099322

SCHEMBL3099322

Cc1cc(C(Nc2ccc(C(=O)O)cc2)C2CCCCC2)c(C)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.53
PDE7A Q13946 5/20 0.43
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SRD5A2 P31213 2/20 0.35
TEAD4 Q15561 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
DNM1L O00429 1/20 0.35
PDE4D Q08499 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 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
SCHEMBL3109922 0.86 RCE1 (0.52) RCE1PDE7AALDH1A1TEAD4LDHA
SCHEMBL3104116 0.85 GCG (0.49) RCE1
SCHEMBL3110145 0.84 RCE1 (0.40) RCE1PDE7AHPGD
SCHEMBL3110106 0.81 RCE1 (0.45) RCE1CYP3A4NR1H4
SCHEMBL3100198 0.77 RCE1 (0.47) RCE1PDE7ATEAD4DNM1LCNR1
SCHEMBL718541 0.76 RCE1 (0.46) RCE1PDE7ATEAD4
SCHEMBL3109991 0.76 NPC1 (0.53) RCE1PDE7ASMN1; SMN2TEAD4CNR1
SCHEMBL3090387 0.76 RCE1 (0.46) RCE1PDE7AHPGDSMN1; SMN2TEAD4
SCHEMBL3094894 0.75 RCE1 (0.49) RCE1HPGDSMN1; SMN2ALDH1A1TEAD4
SCHEMBL3110114 0.75 RCE1 (0.45) RCE1PDE7AALDH1A1TEAD4LDHA

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 RCE1 3126/4885PDE7A 3129/4885HPGD 1354/4885

“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.