SCHEMBL2020333

SCHEMBL2020333

O=C(C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.55
CNR2 P34972 4/20 0.55
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SCN5A Q14524 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
HRH3 Q9Y5N1 7/20 0.41
SLC6A4 P31645 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TACR1 P25103 1/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 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
SCHEMBL8472367 0.95 CNR1 (0.50) CNR1CNR2KDM4EALDH1A1L3MBTL1
SCHEMBL2020125 0.92 CNR2 (0.55) CNR1CNR2KDM4EALDH1A1L3MBTL1
SCHEMBL2288238 0.89 CNR1 (0.61) CNR1CNR2MEN1KMT2A
SCHEMBL4607380 0.89 CNR1 (0.61) CNR1CNR2MEN1KMT2A
SCHEMBL2018135 0.89 CNR1 (0.61) CNR1CNR2MEN1KMT2A
SCHEMBL8463209 0.88 CNR2 (0.50) CNR1CNR2L3MBTL1HRH3MEN1
SCHEMBL2015954 0.88 CNR2 (0.62) CNR1CNR2LMNAHTTMEN1
SCHEMBL4606010 0.86 KDM4E (0.43) CNR1CNR2KDM4EALDH1A1L3MBTL1
SCHEMBL4598704 0.86 CNR1 (0.60) CNR1CNR2LMNAHTTMEN1
SCHEMBL2016965 0.85 CNR1 (0.59) CNR1CNR2ALDH1A1HRH3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897589-B2 Substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-03-01 US 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
EP-1946777-A1 Substituted pyrazoline for preventing weight gain Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1946777-A1 Substituted pyrazoline for preventing weight gain Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP 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 748/4885KDM4E 2800/4885
US-20110160181-A1 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS PIR, SYMPK, P2RX5 CNR1 990/4885CNR2 748/4885KDM4E 2800/4885

“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.