SCHEMBL3732076

SCHEMBL3732076

Cc1cc(N[C@@H](Cc2ccccc2)C(=O)O)nc(-c2ccc(Br)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
HSP90AA1 P07900 1/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 2/20 0.51
GPR119 Q8TDV5 1/20 0.51
MMP2 P08253 2/20 0.48
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
ABCG2 Q9UNQ0 6/20 0.47
ABCB1 P08183 3/20 0.47
ABCC1 P33527 2/20 0.47

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
SCHEMBL13841248 0.73 ITGB1 (0.50) ALDH1A1MEN1KMT2AITGB1ITGA4
SCHEMBL29416320 0.73 ALDH1A1 (0.47) NPC1RAB9AALDH1A1LMNAHSP90AA1
SCHEMBL19430104 0.73 ELOVL1 (0.53) NPC1RAB9AALDH1A1LMNAGAA
SCHEMBL390057 0.72 ABCG2 (0.80) NPC1RAB9AALDH1A1LMNAHSP90AA1
SCHEMBL31324782 0.70 FPR2 (0.61) NPC1RAB9AMMP2MMP1MMP3
SCHEMBL387105 0.69 SMN1; SMN2 (0.73) NPC1RAB9AALDH1A1LMNAHSP90AA1
SCHEMBL19430034 0.69 MAPT (0.52) NPC1RAB9AALDH1A1LMNAGAA
SCHEMBL390210 0.68 CYP1A2 (1.00) NPC1RAB9AALDH1A1LMNAHSP90AA1
SCHEMBL13309900 0.68 ABCG2 (0.56) NPC1RAB9ALMNAABCG2ABCB1
SCHEMBL15583227 0.68 NPR3 (0.59) ALDH1A1CYP1A2MMP2MMP9MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803753-B2 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-20070072803-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARMACEUTICALS (US) 2007-03-29 US 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-20070072803-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level GLP1R, GPR119, GIPR NPC1 964/4885RAB9A 1443/4885ALDH1A1 2154/4885

“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.