SCHEMBL2019937

SCHEMBL2019937

COc1ccc(C2CC(C(=O)O)=NN2c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.55
CNR2 P34972 5/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDE5A O76074 6/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
EGFR P00533 3/20 0.47
KDR P35968 1/20 0.47
BRAF P15056 1/20 0.46
DRD2 P14416 1/20 0.44
DRD4 P21917 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
Hydrochloric Acid SCHEMBL2024424 0.99 CNR1 (0.54) CNR1CNR2MEN1KMT2AKDM4E
SCHEMBL2024421 0.91 CNR1 (0.55) CNR1CNR2MEN1KMT2AKDM4E
SCHEMBL2991729 0.90 CNR1 (0.54) CNR1CNR2MEN1KMT2AKDM4E
SCHEMBL4607305 0.90 CNR1 (0.54) CNR1CNR2MEN1KMT2AKDM4E
SCHEMBL2018083 0.90 CNR1 (0.56) CNR1CNR2MEN1KMT2AKDM4E
SCHEMBL1748594 0.90 CNR1 (0.65) CNR1CNR2PDE5A
SCHEMBL31589469 0.90 CNR1 (0.65) CNR1CNR2PDE5A
SCHEMBL1748630 0.90 CNR1 (0.65) CNR1CNR2PDE5A
SCHEMBL1748655 0.90 CNR1 (0.65) CNR1CNR2PDE5A
Hydrochloric Acid SCHEMBL4050641 0.89 CNR1 (0.53) CNR1CNR2MEN1KMT2AKDM4E

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1946777-A1 Substituted pyrazoline for preventing weight gain Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP claimed
EP-1946778-A1 Active substance combination for the treatment of diabetes Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP claimed
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 claimed
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 claimed
US-20070021398-A1 Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 US claimed
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 claimed
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
WO-2007009711-A2 OCTAHYDROPENTALENE-SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO disclosed
WO-2007009712-A1 INDOLINE-SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO 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
WO-2007009709-A1 CYCLOALKANE-SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS 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
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 748/4885MEN1 952/4885
US-20110160181-A1 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS PIR, SYMPK, P2RX5 CNR1 990/4885CNR2 748/4885MEN1 952/4885

“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.