SCHEMBL9892989

SCHEMBL9892989

CCC1CCCN1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.44
FPR2 P25090 1/20 0.44
CNR2 P34972 2/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CNR1 P21554 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM2B Q8NHM5 1/20 0.40
GCKR Q14397 1/20 0.40
AR P10275 1/20 0.40
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNB3 Q05901 1/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
FFAR1 O14842 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 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
SCHEMBL21136651 0.84 BRD4 (0.50) FPR1FPR2CNR2CYP2C8CYP2D6
SCHEMBL18013246 0.84 BRD4 (0.50) FPR1FPR2CNR2CYP2C8CYP2D6
SCHEMBL20668703 0.84 FPR1 (0.58) FPR1FPR2CNR2CHRNB1CHRNB2
SCHEMBL12895122 0.81 FFAR1 (0.49) FPR1FPR2CNR2CYP2C8CYP2D6
SCHEMBL18488352 0.81 CNR2 (0.39) FPR1FPR2CNR2CYP2C8CYP2D6
SCHEMBL16480461 0.79 AR (0.50) CNR2CYP2C8CYP2D6CNR1CYP2C19
SCHEMBL8156048 0.79 FFAR1 (0.45) ARFFAR1KDM4EALDH1A1MAPK1
SCHEMBL9892986 0.79 FFAR1 (0.55) FPR1FPR2ARCHRNB2FFAR1
SCHEMBL9893005 0.79 CXCR3 (0.48) CNR2CNR1CHRNB1CHRNB2CHRNB4
SCHEMBL19314083 0.79 HTR2C (0.48) MAPTALDH1A1

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 FPR1 195/4885FPR2 203/4885CNR2 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.