SCHEMBL2018964

SCHEMBL2018964

O=C(NN1CCOCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(I)cc2)C1

nearest known ligand 0.91

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.91
CNR2 P34972 12/20 0.91
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
MAPT P10636 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
GPR55 Q9Y2T6 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALOX15 P16050 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.43
AKR1C3 P42330 1/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2016361 0.95 CNR1 (1.00) CNR1CNR2CYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL2019844 0.94 CNR1 (0.98) CNR1CNR2CYP1A2CYP2D6MAPT
SCHEMBL2025766 0.92 CNR1 (0.89) CNR1CNR2CYP1A2CYP2D6MAPT
SCHEMBL2018785 0.92 CNR1 (0.89) CNR1CNR2CYP1A2CYP2D6MAPT
SCHEMBL2022690 0.91 CNR1 (0.75) CNR1CNR2CYP1A2CYP2D6MAPT
SCHEMBL4605063 0.91 CNR1 (0.75) CNR1CNR2CYP1A2CYP2D6MAPT
SCHEMBL2021665 0.90 CNR1 (0.74) CNR1CNR2CYP1A2CYP2D6MAPT
SCHEMBL2024429 0.90 CNR1 (0.74) CNR1CNR2CYP1A2CYP2D6MAPT
SCHEMBL2016938 0.90 CNR1 (0.74) CNR1CNR2CYP1A2CYP2D6MAPT
SCHEMBL2019096 0.89 CNR1 (0.84) CNR1CNR2CYP1A2CYP2D6MAPT

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 17 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

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 748/4885CYP1A2 110/4885
US-20110160181-A1 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS PIR, SYMPK, P2RX5 CNR1 990/4885CNR2 748/4885CYP1A2 110/4885

“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.