SCHEMBL2991907

SCHEMBL2991907

NC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.64
CNR2 P34972 5/20 0.64
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
NR3C2 P08235 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EGFR P00533 2/20 0.40
PDE5A O76074 2/20 0.40
PRKCZ Q05513 4/20 0.39
KIF11 P52732 1/20 0.39

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 SCHEMBL2996363 0.99 CNR1 (0.62) CNR1CNR2MAOAMAOBNR3C2
SCHEMBL14396605 0.94 CNR1 (0.58) CNR1CNR2MAOAMAOBNR3C2
SCHEMBL4783707 0.93 CNR1 (0.57) CNR1CNR2MAOAMAOBNR3C2
SCHEMBL14396247 0.93 CNR1 (0.57) CNR1CNR2MAOBNR3C2EGFR
SCHEMBL2991729 0.90 CNR1 (0.54) CNR1CNR2MAOAMAOBALDH1A1
Hydrochloric Acid SCHEMBL4050641 0.89 CNR1 (0.53) CNR1CNR2MAOAMAOBALDH1A1
SCHEMBL1748630 0.89 CNR1 (0.65) CNR1CNR2NR3C2PDE5APRKCZ
SCHEMBL1749136 0.89 CNR1 (0.65) CNR1CNR2NR3C2EGFRPDE5A
SCHEMBL1748594 0.89 CNR1 (0.65) CNR1CNR2NR3C2PDE5APRKCZ
SCHEMBL12640009 0.89 CNR1 (0.65) CNR1CNR2NR3C2EGFRPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184772-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-07-22 US claimed
EP-2079701-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-22 EP claimed
EP-1944293-A1 Alpha-Polymorph of a substituted pyrazoline, its preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-07-16 EP claimed
WO-2008062424-A2 SUBSTITUTED 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO claimed
WO-2008043544-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-04-17 WO claimed
US-20220119365-A1 CB1R RECEPTOR BLOCKERS WITH ACYCLIC BACKBONES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2022-04-21 US disclosed
US-20100184772-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-07-22 US disclosed
WO-2008062424-A2 SUBSTITUTED 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO disclosed
EP-1911747-A1 Sulfonamide substituted pyrazoline compounds, their preparation and use as CB1 modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-04-16 EP disclosed
EP-1849776-A1 Azepane- or Azocane-substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-31 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-20100184772-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS CNR2, CNR1, FAAH CNR1 2/4885CNR2 1/4885MAOA 1121/4885
US-20220119365-A1 CB1R RECEPTOR BLOCKERS WITH ACYCLIC BACKBONES CNR1, CNR2, HCRTR1 CNR1 1/4885CNR2 2/4885MAOA 1540/4885

“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.