SCHEMBL3095417

SCHEMBL3095417

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 5/20 0.36
ALDH1A1 P00352 1/20 0.36
GCG P01275 4/20 0.36
RCE1 Q9Y256 1/20 0.36
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 2/20 0.34
TEAD4 Q15561 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
CYP26A1 O43174 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34
HCRTR1 O43613 1/20 0.33

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
SCHEMBL13093864 0.85 ALDH1A1 (0.41) NPC1RAB9AALDH1A1GCGRCE1
SCHEMBL3109991 0.85 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53RCE1
SCHEMBL3101244 0.85 GCG (0.50) NPC1RAB9ASMN1; SMN2TP53GCG
SCHEMBL16716419 0.84 RCE1 (0.35) GCGRCE1TEAD4HPGD
SCHEMBL3102136 0.84 ALDH1A1 (0.41) ALDH1A1GCGRCE1MAPTMEN1
SCHEMBL3102074 0.83 KDM4E (0.36) NPC1RAB9ASMN1; SMN2TP53NPSR1
SCHEMBL3102500 0.83 TACR1 (0.39) NPC1RAB9AALDH1A1GCGRCE1
SCHEMBL3106912 0.83 MMP13 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1GCG
SCHEMBL3109932 0.83 RCE1 (0.38) ALDH1A1GCGRCE1MAPTMEN1
SCHEMBL3107023 0.83 GLP1R (0.39) GCG

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 8 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-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US 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
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 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.