SCHEMBL12531987

SCHEMBL12531987

O=C1c2cc(-c3ccc(Cl)cc3)cn2CCN1c1ccc2c(c1)oc(=O)n2CCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.50
▸ SIGMAR1 Q99720 2/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD3 P35462 1/20 0.41
▸ MCHR1 Q99705 3/20 0.40
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ PTGS2 P35354 1/20 0.37

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
SCHEMBL12532102 0.80 MCHR1 (0.47) DRD2DRD3MCHR1HTR2C
SCHEMBL12531980 0.79 MCHR1 (0.64) MCHR1
SCHEMBL12531976 0.79 MCHR1 (0.54) DRD2DRD3MCHR1HTR2C
SCHEMBL12531977 0.76 LTA4H (0.52) MCHR1HTR2CPTGS2
SCHEMBL12531999 0.75 HTR2C (0.51) DRD3MCHR1HTR2C
SCHEMBL12531994 0.73 HTR2C (0.65) DRD3MCHR1HTR2C
SCHEMBL12531954 0.73 MCHR1 (0.62) TMEM97SIGMAR1DRD3MCHR1HTR2C
SCHEMBL4899236 0.73 HTR2C (0.56) MCHR1HTR2C
SCHEMBL12532001 0.73 MCHR1 (0.57) TMEM97SIGMAR1DRD3MCHR1HTR2C
SCHEMBL14458662 0.72 MCHR1 (0.38) SIGMAR1DRD2DRD3MCHR1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956049-B2 Melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-07 — — US disclosed
US-7956049-B2 Melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-07 — — US disclosed
US-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-09-03 — — US disclosed
US-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-09-03 — — US disclosed
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 — — US disclosed
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 — — 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 (2 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-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R TMEM97 337/4885SIGMAR1 76/4885DRD2 114/4885
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R TMEM97 337/4885SIGMAR1 76/4885DRD2 114/4885

“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.

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