SCHEMBL1748655

SCHEMBL1748655

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

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.65
CNR2 P34972 5/20 0.65
PDE5A O76074 4/20 0.48
NR3C2 P08235 1/20 0.45
KIF11 P52732 1/20 0.42
RPA1 P27694 1/20 0.41
NOTUM Q6P988 1/20 0.41
PRKCZ Q05513 4/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41

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
SCHEMBL1748630 1.00 CNR1 (0.65) CNR1CNR2PDE5ANR3C2KIF11
SCHEMBL31589469 1.00 CNR1 (0.65) CNR1CNR2PDE5ANR3C2KIF11
SCHEMBL1748594 1.00 CNR1 (0.65) CNR1CNR2PDE5ANR3C2KIF11
Hydrochloric Acid SCHEMBL1749138 0.99 CNR1 (0.64) CNR1CNR2PDE5ANR3C2KIF11
SCHEMBL2015856 0.94 CNR1 (0.59) CNR1CNR2PDE5ANR3C2PRKCZ
SCHEMBL2021231 0.94 CNR1 (0.59) CNR1CNR2PDE5ANR3C2KIF11
SCHEMBL14395009 0.93 CNR1 (0.58) CNR1CNR2PDE5ANR3C2KIF11
SCHEMBL2017880 0.93 CNR1 (0.58) CNR1CNR2PDE5ANR3C2
SCHEMBL2018962 0.93 CNR1 (0.58) CNR1CNR2PDE5ANR3C2KIF11
SCHEMBL14621870 0.93 CNR1 (0.58) CNR1CNR2PDE5ANR3C2

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 67 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-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
WO-2007009702-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-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
WO-2007009683-A2 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED PYRAZOLINE COMPOUNDS LABORATORIOS DEL DR.ESTEVE, S.A. (ES) 2007-01-25 WO claimed
WO-2007009707-A2 USE OF SUBSTITUTED PYRAZOLINE COMPOUNDS FOR THE TREATMENT OF COAGULATION RELATED DISEASES 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
WO-2007009703-A2 NEW FORMULATIONS OF SUBSTITUTED PYRAZOLINE COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO 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-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
US-8207156-B2 Substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-26 US disclosed
EP-1910299-B1 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2011-09-07 EP disclosed
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 disclosed
EP-1743638-A1 Pharmaceutical formulations of substituted pyrazoline compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP disclosed
EP-1743643-A1 New formulations of substituted pyrazoline compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP disclosed
EP-1743643-A1 New formulations of substituted pyrazoline compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP disclosed
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 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-20070021398-A1 Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments PIR, SYMPK, P2RX5 CNR1 990/4885CNR2 748/4885PDE5A 535/4885

“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.