SCHEMBL5582919

SCHEMBL5582919

CC(=O)Nc1ccc2c(c1)CCC(CN1CCCC1)C2=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.52
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ITGB3 P05106 6/20 0.46
ITGA2B P08514 6/20 0.46
KDM2B Q8NHM5 1/20 0.46
MTNR1A P48039 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR1A P08908 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL7258315 0.90 BAZ2B (0.46) BAZ2BNPC1RAB9AITGB3ITGA2B
SCHEMBL7260378 0.85 TP53 (0.47) BAZ2BNPC1RAB9AITGB3ITGA2B
SCHEMBL11741915 0.84 NPC1 (0.44) BAZ2BNPC1RAB9AITGB3ITGA2B
Hydrochloric Acid SCHEMBL7289438 0.82 SIGMAR1 (0.46) BAZ2BNPC1RAB9AITGB3ITGA2B
SCHEMBL8432255 0.81 MTNR1A (0.62) BAZ2BKDM2BMTNR1AKDM4EALDH1A1
SCHEMBL5582823 0.81 ITGB3 (0.66) BAZ2BNPC1RAB9AITGB3ITGA2B
SCHEMBL10341502 0.80 ITGB3 (0.59) BAZ2BNPC1RAB9AITGB3ITGA2B
SCHEMBL5582711 0.80 BAZ2B (0.52) BAZ2BNPC1RAB9AITGB3ITGA2B
SCHEMBL10341504 0.79 BAZ2B (0.51) BAZ2BNPC1RAB9AITGB3ITGA2B
SCHEMBL14454770 0.79 ITGB3 (0.53) BAZ2BNPC1RAB9AITGB3ITGA2B

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
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 BAZ2B 1322/4885NPC1 1085/4885RAB9A 1813/4885

“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.