SCHEMBL7770518

SCHEMBL7770518

O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1CO

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.81
CNR2 P34972 9/20 0.81
CYP2C9 P11712 2/20 0.75
GPR55 Q9Y2T6 2/20 0.75
ABCC4 O15439 1/20 0.75
MLNR O43193 1/20 0.75
ABCB11 O95342 1/20 0.75
CHRM2 P08172 1/20 0.75
ADORA3 P0DMS8 1/20 0.75
ADRA2B P18089 1/20 0.75
ADRA2C P18825 1/20 0.75
DRD1 P21728 1/20 0.75
TBXA2R P21731 1/20 0.75
SLC6A2 P23975 1/20 0.75
HRH2 P25021 1/20 0.75
HTR2A P28223 1/20 0.75
AGTR1 P30556 1/20 0.75
CCKAR P32238 1/20 0.75
CCKBR P32239 1/20 0.75
MC4R P32245 1/20 0.75

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
SCHEMBL2633165 0.95 CNR1 (0.77) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL4909775 0.95 CNR1 (0.77) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL12053804 0.94 CNR1 (0.85) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL10145280 0.93 CNR1 (0.73) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL4913336 0.93 CNR1 (0.79) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL12053842 0.92 CNR1 (0.72) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL12062842 0.92 CNR1 (0.72) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL7768479 0.91 CNR1 (0.74) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL14815936 0.91 CNR1 (0.77) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL5160340 0.91 CNR1 (0.90) CNR1CNR2CYP2C9GPR55ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632919-B1 PYRAZOLE COMPOUNDS NATIONAL HEALTH RES INST (TW) 2018-11-07 EP disclosed
CN-103459383-B pyrazole compound 财团法人国家卫生研究院 2016-06-22 CN disclosed
US-8962845-B2 Pyrazole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2015-02-24 US disclosed
US-8962845-B2 Pyrazole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2015-02-24 US disclosed
US-8962845-B2 Pyrazole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2015-02-24 US disclosed
CN-103459383-A Pyrazole compound NAT HEALTH RESEARCH INSTITUTES 2013-12-18 CN disclosed
US-20130085126-A1 PYRAZOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-04-04 US disclosed
US-20130085126-A1 PYRAZOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-04-04 US disclosed
US-20130085126-A1 PYRAZOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-04-04 US disclosed
WO-2013048989-A2 PYRAZOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-04-04 WO disclosed
EP-0876350-B1 PYRAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI SYNTHELABO (FR) 2001-07-11 EP disclosed
US-6028084-A Pyrazole derivatives, method for preparing same, and pharmaceutical compositions containing said derivatives SANOFI-SYNTHELABO (FR) 2000-02-22 US disclosed
EP-0876350-A1 PYRAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1998-11-11 EP disclosed
WO-1997019063-A1 PYRAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1997-05-29 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-20130085126-A1 PYRAZOLE COMPOUNDS CYP3A43, CYP3A4, CYP3A7 CNR1 353/4885CNR2 572/4885CYP2C9 10/4885

“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.