SCHEMBL3095498

SCHEMBL3095498

Cc1nn(C)c(C)c1-c1cc(C(Nc2ccc(C(=O)O)cc2)C2CCCCC2)c(C)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.44
PDE7A Q13946 4/20 0.38
NPC1 O15118 2/20 0.33
GCG P01275 2/20 0.33
GAA P10253 1/20 0.33
MCL1 Q07820 1/20 0.33
TEAD4 Q15561 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PDE4D Q08499 1/20 0.32
POLB P06746 1/20 0.32
LCK P06239 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL3104163 0.88 GCG (0.48) GCG
SCHEMBL3095477 0.87 GCG (0.35) RCE1PDE7AGCG
SCHEMBL3101439 0.85 RCE1 (0.46) RCE1PDE7ANPC1GAATEAD4
SCHEMBL3107163 0.84 RCE1 (0.43) RCE1PDE7ANPC1GCGGAA
SCHEMBL3107138 0.81 RCE1 (0.44) RCE1PDE7ANPC1GCGGAA
SCHEMBL3094894 0.81 RCE1 (0.49) RCE1NPC1GAATEAD4TP53
SCHEMBL3107553 0.81 RCE1 (0.49) RCE1PDE7ANPC1GAATEAD4
SCHEMBL3101341 0.80 RCE1 (0.48) RCE1NPC1GAATEAD4TP53
SCHEMBL3113651 0.79 RCE1 (0.45) RCE1NPC1RAB9ACYP3A4CYP2D6
SCHEMBL3095487 0.79 RCE1 (0.45) RCE1NPC1TP53RAB9ACYP3A4

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 3129/4885NPC1 3994/4885

“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.