SCHEMBL1621086

SCHEMBL1621086

CCCCCN1N=C(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1cccc(F)c1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.85
CNR2 P34972 12/20 0.85
PDE5A O76074 1/20 0.38
RIPK1 Q13546 2/20 0.38
MAOB P27338 2/20 0.38
TP53 P04637 1/20 0.38
MAOA P21397 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL1620675 0.94 CNR1 (0.74) CNR1CNR2PDE5ARIPK1MAOB
SCHEMBL1621799 0.92 CNR1 (1.00) CNR1CNR2
SCHEMBL1621214 0.91 CNR1 (0.91) CNR1CNR2
SCHEMBL1621369 0.90 CNR1 (0.76) CNR1CNR2PDE5ARIPK1MAOB
SCHEMBL1619989 0.88 CNR1 (0.74) CNR1CNR2PDE5A
SCHEMBL1621023 0.85 CNR2 (0.87) CNR1CNR2RIPK1
SCHEMBL1619028 0.82 CNR1 (0.82) CNR1CNR2RIPK1
SCHEMBL1621351 0.82 CNR1 (0.81) CNR1CNR2MAOBMAOAKDM4E
SCHEMBL1620608 0.81 CNR1 (0.69) CNR1CNR2PDE5ARIPK1MAOB
SCHEMBL1620765 0.80 CNR1 (0.78) CNR1CNR2

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 9 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-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
EP-2203427-A2 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLES AS CANNABINOID CB1 RECEPTOR AGONISTS Abbott Healthcare Products B.V. (NL) 2010-07-07 EP 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 2/4885PDE5A 436/4885
US-20090082396-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS CNR1, CNR2, HTR5A CNR1 1/4885CNR2 2/4885PDE5A 436/4885

“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.