SCHEMBL1620403

SCHEMBL1620403

CCCCCN1N=C(C(=O)NC2Cc3ccccc3C2)CC1c1ccccc1F

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.65
CNR2 P34972 5/20 0.65
DHODH Q02127 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
GAA P10253 1/20 0.36
NAMPT P43490 2/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
RIPK1 Q13546 1/20 0.35
CCR1 P32246 1/20 0.35
GRM7 Q14831 1/20 0.34

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
SCHEMBL1620904 0.90 CNR2 (0.67) CNR1CNR2GAA
SCHEMBL1621041 0.89 CNR2 (0.66) CNR1CNR2GAA
SCHEMBL1621150 0.89 CNR2 (0.66) CNR1CNR2GAA
SCHEMBL12752445 0.89 CNR2 (0.66) CNR1CNR2GAA
SCHEMBL1621327 0.87 CNR1 (0.63) CNR1CNR2NAMPTMAOBMAOA
SCHEMBL13908529 0.86 CNR1 (0.62) CNR1CNR2NAMPTDRD2
SCHEMBL1620940 0.86 CNR1 (0.71) CNR1CNR2HRH3NAMPTMAPT
SCHEMBL1620554 0.84 CNR2 (0.62) CNR1CNR2MAOBMAOARIPK1
SCHEMBL1621326 0.83 CNR2 (0.61) CNR1CNR2NAMPTMAOBMAOA
SCHEMBL1621256 0.82 CNR2 (0.60) CNR1CNR2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160459-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS, B.V. 2011-06-30 US disclosed
US-20110160459-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS, B.V. 2011-06-30 US disclosed
US-20110160459-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS, B.V. 2011-06-30 US disclosed
US-7928134-B2 5-aryl-4,5-dihydro-(1H)-pyrazolines as cannabinoid CB1 receptor agonists SOLVAY PHARMACEUTICALS B.V. (NL) 2011-04-19 US disclosed
US-7928134-B2 5-aryl-4,5-dihydro-(1H)-pyrazolines as cannabinoid CB1 receptor agonists SOLVAY PHARMACEUTICALS B.V. (NL) 2011-04-19 US disclosed
US-7928134-B2 5-aryl-4,5-dihydro-(1H)-pyrazolines as cannabinoid CB1 receptor agonists SOLVAY PHARMACEUTICALS B.V. (NL) 2011-04-19 US disclosed
WO-2009037244-A2 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS B.V. (NL) 2009-03-26 WO disclosed
US-20090082396-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS B.V. 2009-03-26 US disclosed
US-20090082396-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS B.V. 2009-03-26 US disclosed
US-20090082396-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS B.V. 2009-03-26 US 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-20110160459-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS CNR1, CNR2, HTR5A CNR1 1/4885CNR2 2/4885DHODH 1601/4885
US-20090082396-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS CNR1, CNR2, HTR5A CNR1 1/4885CNR2 2/4885DHODH 1601/4885

“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.