SCHEMBL9891944

SCHEMBL9891944

O=C(Nc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CCCN1c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
CDK3 Q00526 1/20 0.56
CNR1 P21554 3/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
BACE1 P56817 1/20 0.44
HRH4 Q9H3N8 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
CYP1A2 P05177 1/20 0.40
EP300 Q09472 1/20 0.40
CREBBP Q92793 1/20 0.40

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
SCHEMBL9893076 0.80 CNR2 (0.53) CNR2CYP2C8CYP2C9CYP2C19HRH4
SCHEMBL9892139 0.80 CNR2 (0.86) CNR2CNR1HRH4SMN1; SMN2NPC1
SCHEMBL9108960 0.79 ALDH1A1 (0.56) CNR2NPC1RAB9APOLBEP300
SCHEMBL9108946 0.79 ALDH1A1 (0.56) CNR2NPC1RAB9APOLBEP300
SCHEMBL9892138 0.78 CNR2 (0.62) CNR2CNR1HRH4SMN1; SMN2NPC1
SCHEMBL9893083 0.77 NPC1 (0.47) CNR2HRH4SMN1; SMN2NPC1RAB9A
SCHEMBL16238702 0.77 ALDH1A1 (0.54) CNR2HRH4SMN1; SMN2NPC1RAB9A
SCHEMBL13257797 0.77 ALDH1A1 (0.54) CNR2HRH4SMN1; SMN2NPC1RAB9A
SCHEMBL16254959 0.76 NPC1 (0.49) CNR2HRH4SMN1; SMN2NPC1RAB9A
SCHEMBL16254927 0.76 CNR2 (0.69) CNR2HRH4SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO 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 (1 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CCNE1 3739/4885CDK2 670/4885

“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.