SCHEMBL3106785

SCHEMBL3106785

Cc1oc(-c2ccccc2)cc1C(Nc1ccc(C(=O)O)cc1)C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
RCE1 Q9Y256 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 4/20 0.43
CYP1A2 P05177 2/20 0.43
MAPT P10636 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX12 P18054 1/20 0.43
NPC1 O15118 2/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL3101341 0.98 RCE1 (0.48) ALDH1A1MEN1KMT2ARCE1KDM4E
SCHEMBL3094894 0.97 RCE1 (0.49) ALDH1A1MEN1KMT2ARCE1KDM4E
SCHEMBL3102051 0.92 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ARCE1KDM4E
SCHEMBL3095487 0.88 RCE1 (0.45) ALDH1A1MEN1KMT2ARCE1MAPT
SCHEMBL3107553 0.88 RCE1 (0.49) ALDH1A1MEN1KMT2ARCE1KDM4E
SCHEMBL3113651 0.88 RCE1 (0.45) ALDH1A1MEN1KMT2ARCE1CYP2D6
SCHEMBL3095474 0.86 RCE1 (0.51) ALDH1A1MEN1KMT2ARCE1KDM4E
SCHEMBL3094745 0.86 GCG (0.45) ALDH1A1MEN1KMT2ACYP1A2MAPT
SCHEMBL3102268 0.85 RCE1 (0.43) ALDH1A1MEN1KMT2ARCE1NPC1
SCHEMBL3095367 0.85 RCE1 (0.43) RCE1CYP3A4DGAT1

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 ALDH1A1 3963/4885MEN1 233/4885KMT2A 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.