SCHEMBL9891934

SCHEMBL9891934

CC(C)(C)c1nnc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(Cl)cc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 1.00
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RX7 Q99572 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 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
SCHEMBL13256996 0.94 CNR2 (0.89) CNR2RAB9ANPC1CYP2C8CYP2C9
SCHEMBL9891583 0.89 CNR2 (0.81) CNR2RAB9ANPC1MEN1KMT2A
SCHEMBL9891931 0.80 CNR2 (0.67) CNR2RAB9ANPC1CYP2C8CYP2C9
SCHEMBL9892192 0.78 CNR2 (0.67) CNR2CYP2C8CYP2C9CYP2C19CNR1
SCHEMBL13284946 0.78 CNR2 (0.67) CNR2CYP2C8CYP2C9CYP2C19CNR1
SCHEMBL2572221 0.76 CNR2 (1.00) CNR2CYP2C8CYP2C9CYP2C19CNR1
SCHEMBL9892005 0.76 CNR2 (1.00) CNR2CYP2C8CYP2C9CYP2C19CNR1
SCHEMBL9892188 0.75 CNR2 (0.62) CNR2CYP2C8CYP2C9CYP2C19MEN1
SCHEMBL9108690 0.75 MAPT (0.63) CNR2RAB9ANPC1MEN1KMT2A
SCHEMBL9891951 0.75 CNR2 (0.60) CNR2RAB9ANPC1MEN1KMT2A

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
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
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

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 1/4885RAB9A 2299/4885NPC1 1904/4885

“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.