SCHEMBL3112583

SCHEMBL3112583

CCc1sc(Br)cc1C(Oc1ccc(C(=O)OC)cc1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
EPHX2 P34913 1/20 0.40
EPHX1 P07099 1/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.35

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
SCHEMBL3101381 0.90 KMT2A (0.39) SMN1; SMN2NPC1HPGDRAB9AEPHX2
SCHEMBL3109222 0.88 SMN1; SMN2 (0.40) SMN1; SMN2NPC1ALDH1A1HPGDRAB9A
SCHEMBL3102067 0.78 KMT2A (0.39) SMN1; SMN2NPC1HPGDRAB9AEPHX2
SCHEMBL3104458 0.76 KMT2A (0.38) SMN1; SMN2NPC1HPGDRAB9AEPHX2
SCHEMBL3108936 0.75 KMT2A (0.40) SMN1; SMN2NPC1HPGDRAB9AEPHX2
SCHEMBL3107066 0.74 SMN1; SMN2 (0.44) SMN1; SMN2NPC1ALDH1A1HPGDRAB9A
SCHEMBL3094147 0.73 GCGR (0.49) SMN1; SMN2NPC1HPGDRAB9AMEN1
SCHEMBL3107118 0.72 SMN1; SMN2 (0.35) SMN1; SMN2NPC1HPGDRAB9AKMT2A
SCHEMBL3110265 0.72 GCGR (0.47) SMN1; SMN2NPC1ALDH1A1HPGDRAB9A
SCHEMBL3110015 0.71 GCGR (0.47) SMN1; SMN2NPC1HPGDRAB9ANPSR1

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 SMN1; SMN2 4692/4885NPC1 3994/4885ALDH1A1 3963/4885

“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.