SCHEMBL1006124

SCHEMBL1006124

Cn1c2c(c3ccc(Br)cc31)CCCN(C(=O)O)C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 3/20 0.40
EGLN1 Q9GZT9 2/20 0.40
CASP6 P55212 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
GRM5 P41594 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCHR1 Q99705 3/20 0.35
FABP4 P15090 1/20 0.35
HTR5A P47898 1/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 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
SCHEMBL3475264 0.93 BAZ2B (0.44) BAZ2BEGLN1RAB9AGRM5MCHR1
SCHEMBL1005049 0.90 BAZ2B (0.46) BAZ2BEGLN1MCHR1HTR5A
SCHEMBL3477090 0.85 BAZ2B (0.53) BAZ2BEGLN1GRM5MCHR1HTR5A
SCHEMBL12927712 0.84 KRAS (0.46) BAZ2BEGLN1MEN1KMT2A
SCHEMBL1004240 0.84 GRM5 (0.46) BAZ2BEGLN1GRM5MCHR1HTR5A
SCHEMBL3476808 0.82 BAZ2B (0.53) BAZ2BRAB9AALOX5PTGS1PTGS2
SCHEMBL9966179 0.77 ALOX5 (0.53) RAB9AALOX5PTGS1PTGS2MEN1
SCHEMBL3475373 0.77 KRAS (0.51) BAZ2BGRM5
SCHEMBL3475699 0.76 MCHR1 (0.50) MCHR1HTR5ACYP3A4
SCHEMBL12927722 0.76 ALOX5 (0.55) RAB9AALOX5PTGS1PTGS2HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637501-B2 Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-28 US disclosed
EP-2448585-B1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2014-01-01 EP disclosed
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 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-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, HTR1E BAZ2B 1341/4885EGLN1 678/4885CASP6 4825/4885

“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.