SCHEMBL9893059

SCHEMBL9893059

CCC1CCCN1Cc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 2/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SPHK2 Q9NRA0 4/20 0.52
SPHK1 Q9NYA1 4/20 0.52
CCR2 P41597 4/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
TRPV6 Q9H1D0 1/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC1 Q13547 1/20 0.45
PARP1 P09874 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL7852374 0.95 MAPK1 (0.62) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL13215732 0.87 ALDH1A1 (0.57) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL3572935 0.85 ALDH1A1 (0.60) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL25824759 0.85 MAPK1 (0.55) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL9892993 0.85 MAPK1 (0.55) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL11990426 0.85 MAPK1 (0.54) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL14395220 0.85 MAPK1 (0.54) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL4839403 0.83 SPHK2 (0.52) ALDH1A1SPHK2SPHK1CCR2TRPV6
SCHEMBL4848314 0.83 SPHK2 (0.52) ALDH1A1SPHK2SPHK1CCR2TRPV6
SCHEMBL4839388 0.83 SPHK2 (0.52) ALDH1A1SPHK2SPHK1CCR2TRPV6

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 1463/4885ALDH1A1 3279/4885CRHBP 113/4885

“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.