SCHEMBL2018083

SCHEMBL2018083

COC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(OC)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.56
CNR2 P34972 5/20 0.56
EGFR P00533 3/20 0.48
KDR P35968 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
BRAF P15056 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL14621436 0.93 CNR1 (0.63) CNR1CNR2EGFRKDRKDM4E
SCHEMBL2021240 0.93 CNR1 (0.63) CNR1CNR2EGFRKDRKDM4E
SCHEMBL2019937 0.90 CNR1 (0.55) CNR1CNR2EGFRKDRMEN1
SCHEMBL2024421 0.90 CNR1 (0.55) CNR1CNR2EGFRKDRMEN1
SCHEMBL2016969 0.90 CNR1 (0.57) CNR1CNR2EGFRKDRKDM4E
SCHEMBL2025545 0.90 EGFR (0.58) CNR1CNR2EGFRKDRMEN1
SCHEMBL2018106 0.89 CNR1 (0.56) CNR1CNR2EGFRKDRKDM4E
SCHEMBL2021086 0.89 CNR1 (0.56) CNR1CNR2EGFRKDRMAOA
SCHEMBL4607305 0.89 CNR1 (0.54) CNR1CNR2EGFRKDRMEN1
SCHEMBL2991729 0.89 CNR1 (0.54) CNR1CNR2EGFRKDRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207156-B2 Substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-26 US disclosed
US-8207156-B2 Substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-26 US disclosed
US-8207156-B2 Substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-26 US disclosed
US-20110160181-A1 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-30 US disclosed
US-20110160181-A1 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-30 US disclosed
US-20110160181-A1 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-30 US disclosed
US-7897589-B2 Substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-03-01 US disclosed
US-7897589-B2 Substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-03-01 US disclosed
US-7897589-B2 Substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-03-01 US disclosed
EP-1946777-A1 Substituted pyrazoline for preventing weight gain Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1946778-A1 Active substance combination for the treatment of diabetes Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1910302-A1 CARBONYL SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 RECEPTOR MODULATORS Laboratorios del Dr. Esteve S.A. (ES) 2008-04-16 EP disclosed
WO-2007009687-A1 CARBONYL SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 RECEPTOR MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO disclosed
US-20070021398-A1 Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 US disclosed
US-20070021398-A1 Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 US disclosed
US-20070021398-A1 Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 US disclosed
EP-1743888-A1 Carbonyl substituted pyrazoline compounds, their preparation and use as CB1 receptor modulators LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP disclosed
EP-1743888-A1 Carbonyl substituted pyrazoline compounds, their preparation and use as CB1 receptor modulators LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP 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-20070021398-A1 Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments PIR, SYMPK, P2RX5 CNR1 990/4885CNR2 748/4885EGFR 4782/4885
US-20110160181-A1 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS PIR, SYMPK, P2RX5 CNR1 990/4885CNR2 748/4885EGFR 4782/4885

“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.