SCHEMBL1748614

SCHEMBL1748614

O=C(NN1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.81
CNR2 P34972 10/20 0.81
ABCC4 O15439 1/20 0.49
MLNR O43193 1/20 0.49
ABCB11 O95342 1/20 0.49
CHRM2 P08172 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2C9 P11712 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49
HRH2 P25021 1/20 0.49
HTR2A P28223 1/20 0.49
AGTR1 P30556 1/20 0.49
CCKAR P32238 1/20 0.49
CCKBR P32239 1/20 0.49
MC4R P32245 1/20 0.49
ABCC1 P33527 1/20 0.49

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
SCHEMBL2023856 1.00 CNR1 (0.81) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL5444990 1.00 CNR1 (0.81) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL29375695 1.00 CNR1 (0.81) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL8452745 1.00 CNR1 (0.81) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL2018977 1.00 CNR1 (0.81) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL4608199 1.00 CNR1 (0.81) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL2419758 1.00 CNR1 (0.81) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL8470688 1.00 CNR1 (0.81) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL674917 1.00 CNR1 (0.81) CNR1CNR2ABCC4MLNRABCB11
Hydrochloric Acid SCHEMBL4551016 0.99 CNR1 (0.80) CNR1CNR2ABCC4MLNRABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968582-B2 5(S)-substituted pyrazoline compounds, their preparation and use as medicaments LABOROTORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-28 US claimed
EP-2042175-A1 Dose regimens of CB1-Receptor ligands in the treatment of obesity Laboratorios del Dr. Esteve S.A. (ES) 2009-04-01 EP claimed
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-1944295-A1 Non-racemic mixtures of (R)-N-piperidinyl-5-(4-chlorophenyl)1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxamide and (S)-N-piperidinyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxamide Laboratorios del Dr. Esteve S.A. (ES) 2008-07-16 EP claimed
EP-1910332-A2 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-04-16 EP claimed
EP-1907365-A1 SALTS OF SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-04-09 EP claimed
EP-1749526-A1 Use of substituted pyrazoline compounds for the treatment of food disorders, including obesity or metabolic syndrome in patients with developed diabetes LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-07 EP claimed
EP-1749527-A1 Use of substituted pyrazoline compounds for the treatment of the lipid parameters of the metabolic syndrome LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-07 EP claimed
EP-1749820-A1 Salts of substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-07 EP claimed
WO-2007009708-A1 SALTS OF SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO claimed
WO-2007009706-A2 SUBSTITUTED PYRAZOLINE COMPOUNDS, HAVING PREDETERMINED STEREOCHEMISTRY, FOR REDUCING TRIGLYCERIDES IN BLOOD LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO claimed
WO-2007009686-A2 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO claimed
WO-2007009704-A2 USE OF SUBSTITUTED PYRAZOLINE COMPOUNDS FOR THE TREATMENT OF FOOD DISORDERS, INCLUDING OBESITY OR METABOLIC SYNDROME IN PATIENTS WITH DEVELOPED DIABETES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO claimed
EP-1746090-A1 Sustituted pyrazoline compounds, having predetermined stereochemistry, for reducing triglycerides in blood Laboratorios del Dr. Esteve S.A. (ES) 2007-01-24 EP claimed
US-20070015811-A1 5(S)-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-18 US claimed
EP-1743643-A1 New formulations of substituted pyrazoline compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP claimed
EP-1743639-A1 Use of substituted pyrazoline compounds for the treatment of coagulation related diseases LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP claimed
EP-1743892-A1 Substituted pyrazoline compounds, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2007-01-17 EP claimed
EP-1743889-A1 Sustituted pyrazoline compounds, having predetermined stereochemistry, for reducing triglycerides in blood Laboratorios del Dr. Esteve S.A. (ES) 2007-01-17 EP claimed

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-20070015811-A1 5(S)-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments CYP3A5, P2RX5, PPIP5K2 CNR1 831/4885CNR2 597/4885ABCC4 518/4885

“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.