SCHEMBL9891747

SCHEMBL9891747

CC(C)(C)C1CCC(=O)N1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CNR1 P21554 2/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
CCR1 P32246 1/20 0.41
CCR2 P41597 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
HDAC6 Q9UBN7 4/20 0.39
SRD5A1 P18405 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
SCHEMBL9891746 0.84 CNR2 (0.45) CNR2CYP2C19ALDH1A1GAAMAPT
SCHEMBL16480454 0.81 NPC1 (0.49) CNR2CYP2C8CYP2C9CYP2C19CNR1
SCHEMBL9891736 0.81 ALDH1A1 (0.41) NPC1ALDH1A1RAB9APTGER3PTGER2
SCHEMBL9891743 0.79 PTGER2 (0.36) CNR2CYP2C8CYP2C9CYP2C19CNR1
SCHEMBL24717003 0.78 HDAC1 (0.40) CNR2CYP2C8CYP2C9CYP2C19CCR1
SCHEMBL9892985 0.78 PTGER2 (0.48) CNR2CYP2C8CYP2C9CYP2C19CNR1
SCHEMBL9891733 0.78 CNR2 (0.47) CNR2CNR1PTGER3PTGER2HTR7
SCHEMBL9891735 0.78 CNR2 (0.48) CNR2HDAC6HDAC1HDAC8
SCHEMBL9891740 0.77 HDAC6 (0.42) CNR2CYP2C8CYP2C9CYP2C19NPC1
SCHEMBL9891734 0.77 CRHBP (0.43) ALDH1A1MAPT

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 2 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-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 1/4885CYP2C8 807/4885CYP2C9 1894/4885

“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.