SCHEMBL3984874

SCHEMBL3984874

O=[N+]([O-])C1COc2ccc(Br)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.38
CYP19A1 P11511 1/20 0.37
CA2 P00918 1/20 0.36
P2RY6 Q15077 1/20 0.35
PBRM1 Q86U86 1/20 0.34
APP P05067 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
AHR P35869 1/20 0.32
MTNR1A P48039 1/20 0.32
GLS O94925 1/20 0.31
HCRTR2 O43614 1/20 0.30
ADRA2A P08913 1/20 0.30
PNMT P11086 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL31561634 0.82 ROCK2 (0.38) CYP19A1CA2P2RY6LMNAMAPT
SCHEMBL31561625 0.82 CHRNB4 (0.44) MAPTCHRNB4CHRNA3ADRA2APNMT
SCHEMBL28056978 0.82 ESR1 (0.40) MAPTCHRNB4CHRNA3MTNR1A
SCHEMBL31561633 0.82 ROCK2 (0.38) CYP19A1CA2LMNACHRNB4CHRNA3
SCHEMBL31561635 0.82 ROCK2 (0.38) CYP19A1CA2P2RY6LMNAMAPT
SCHEMBL30937657 0.82 ROCK2 (0.38) MALT1CYP19A1CA2P2RY6
SCHEMBL8557409 0.78 NISCH (0.40)
SCHEMBL13963767 0.75 MAPT (0.39) LMNAMAPTHTTMTNR1A
SCHEMBL7204257 0.75 MTNR1A (0.48) LMNAMAPTHTTCHRNB4CHRNA3
SCHEMBL8505509 0.74 NPC1 (0.33) MAPTBLMMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550467-B2 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2009-06-23 US disclosed
CN-101076524-A Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders PHARMACOPEIA DRUG DISCOVERY (US) 2007-11-21 CN disclosed
EP-1807409-A2 BICYCLIC COMPOUNDS AS SELECTIVE MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS Pharmacopeia Drug Discovery, Inc. (US) 2007-07-18 EP disclosed
US-7053223-B2 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-30 US disclosed
US-20060111360-A1 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders PHARMACOPEIA DRUG DISCOVERY, INC. 2006-05-25 US disclosed
WO-2006044293-A2 BICYCLIC COMPOUNDS AS SELECTIVE MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-04-27 WO disclosed
US-20040181068-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 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-20040181068-A1 Inhibitors of farnesyl protein transferase FNTA, FNTB, ACAT2 MALT1 2972/4885CYP19A1 3141/4885CA2 4202/4885
US-20060111360-A1 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders MCHR1, MCHR2, MC4R MALT1 2502/4885CYP19A1 387/4885CA2 3666/4885

“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.