SCHEMBL3109991

SCHEMBL3109991

Cc1oc(C(C)(C)C)cc1C(Nc1ccc(C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
RCE1 Q9Y256 1/20 0.48
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
TEAD4 Q15561 1/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 1/20 0.37
PDE7A Q13946 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
RAF1 P04049 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 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
SCHEMBL3101244 0.86 GCG (0.50) NPC1RAB9ASMN1; SMN2TP53
SCHEMBL3095417 0.85 NPC1 (0.40) NPC1RAB9ASMN1; SMN2TP53RCE1
SCHEMBL3094894 0.82 RCE1 (0.49) NPC1RAB9ASMN1; SMN2TP53RCE1
SCHEMBL3101341 0.81 RCE1 (0.48) NPC1RAB9ASMN1; SMN2TP53RCE1
SCHEMBL3107553 0.80 RCE1 (0.49) NPC1RAB9ASMN1; SMN2TP53RCE1
SCHEMBL3113651 0.80 RCE1 (0.45) NPC1RAB9ARCE1MEN1KMT2A
SCHEMBL3095487 0.80 RCE1 (0.45) NPC1RAB9ATP53RCE1MAPT
SCHEMBL3095367 0.79 RCE1 (0.43) RCE1EPHX2
SCHEMBL3101439 0.79 RCE1 (0.46) NPC1RAB9ASMN1; SMN2TP53RCE1
SCHEMBL3106785 0.79 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2TP53RCE1

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.