SCHEMBL3729624

SCHEMBL3729624

Cc1cc(NC2CCN[C@@H]2C(=O)O)nc(-c2ccc(Br)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HSP90AA1 P07900 1/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 3/20 0.46
GPR119 Q8TDV5 1/20 0.46
ABCG2 Q9UNQ0 6/20 0.38
ABCB1 P08183 2/20 0.38
ABCC1 P33527 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
GBA1 P04062 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL386231 0.73 LMNA (0.61) NPC1SMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL387105 0.68 SMN1; SMN2 (0.73) NPC1SMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL390057 0.65 ABCG2 (0.80) NPC1SMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL27747875 0.65 CYP1A2 (0.59) NPC1SMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL390210 0.64 CYP1A2 (1.00) NPC1SMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL3732076 0.63 NPC1 (0.53) NPC1SMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL389903 0.62 MEN1 (0.74) NPC1SMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL13838818 0.61 LMNA (0.57) NPC1SMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL386861 0.60 CYP1A2 (0.60) NPC1SMN1; SMN2LMNARAB9AALDH1A1
Hydrochloric Acid SCHEMBL9690641 0.60 SMN1; SMN2 (0.52) NPC1SMN1; SMN2LMNARAB9AALDH1A1

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 964/4885SMN1; SMN2 3911/4885LMNA 4082/4885

“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.