SCHEMBL9892993

SCHEMBL9892993

CCC1CCCN1Cc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
SPHK2 Q9NRA0 6/20 0.53
SPHK1 Q9NYA1 6/20 0.53
ALDH1A1 P00352 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GBA1 P04062 1/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL13215732 0.85 ALDH1A1 (0.57) MAPK1SPHK2SPHK1ALDH1A1CRHBP
SCHEMBL9893059 0.85 MAPK1 (0.56) MAPK1SPHK2SPHK1ALDH1A1CRHBP
SCHEMBL3572935 0.84 ALDH1A1 (0.60) MAPK1SPHK2SPHK1ALDH1A1CRHBP
SCHEMBL25824759 0.84 MAPK1 (0.55) MAPK1SPHK2SPHK1ALDH1A1CRHBP
SCHEMBL9131967 0.84 SPHK1 (0.53) SPHK2SPHK1ALDH1A1GBA1
SCHEMBL10208473 0.84 SPHK1 (0.70) SPHK2SPHK1GBA1
SCHEMBL10355476 0.84 SPHK1 (0.53) SPHK2SPHK1ALDH1A1GBA1
SCHEMBL9134554 0.84 SPHK1 (0.53) SPHK2SPHK1ALDH1A1GBA1
SCHEMBL14395220 0.83 MAPK1 (0.54) MAPK1SPHK2SPHK1ALDH1A1CRHBP
SCHEMBL11990426 0.83 MAPK1 (0.54) MAPK1SPHK2SPHK1ALDH1A1CRHBP

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 MAPK1 1463/4885SPHK2 238/4885SPHK1 313/4885

“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.