SCHEMBL9892985

SCHEMBL9892985

CCC1CCC(=O)N1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 3/20 0.48
PTGER3 P43115 2/20 0.48
CNR2 P34972 3/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CNR1 P21554 2/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
P2RX7 Q99572 1/20 0.43
PTGDR Q13258 2/20 0.42
CCR1 P32246 1/20 0.41
CCR2 P41597 1/20 0.41

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
SCHEMBL5509172 0.85 AR (0.40) PTGER2PTGER3CNR2CYP2C8CYP2C9
SCHEMBL5513575 0.85 AR (0.40) PTGER2PTGER3CNR2CYP2C8CYP2C9
SCHEMBL5509169 0.85 AR (0.40) PTGER2PTGER3CNR2CYP2C8CYP2C9
SCHEMBL9893023 0.83 PER2 (0.46) PTGER2PTGER3CNR2CYP2C9ALDH1A1
SCHEMBL9893157 0.80 PTGER2 (0.42) PTGER2PTGER3PTGDRMAP4K1PER2
SCHEMBL16480454 0.80 NPC1 (0.49) PTGER2PTGER3CNR2CYP2C8CYP2C9
SCHEMBL9892975 0.80 PTGER2 (0.44) PTGER2PTGER3CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11020419 0.79 PTGER2 (0.52) PTGER2PTGER3CNR2CYP2C8CYP2C9
SCHEMBL9891747 0.78 CNR2 (0.47) PTGER2PTGER3CNR2CYP2C8CYP2C9
SCHEMBL9892976 0.78 PTGER2 (0.41) PTGER2PTGER3ALDH1A1PTGDRMAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGER2 186/4885PTGER3 200/4885CNR2 1/4885

“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.