SCHEMBL9893052

SCHEMBL9893052

CCC1CCCN1CCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.41
HRH3 Q9Y5N1 2/20 0.40
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 2/20 0.38
S1PR4 O95977 1/20 0.38
OPRD1 P41143 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LTA4H P09960 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL30085037 0.88 HRH3 (0.40) TERTHRH3S1PR1S1PR3S1PR5
SCHEMBL9893118 0.85 MEN1 (0.41) HRH3S1PR1S1PR3S1PR5S1PR4
SCHEMBL16480467 0.82 HRH3 (0.55) HRH3
SCHEMBL9891878 0.81 HRH3 (0.41) HRH3HSD17B10MEN1KMT2AALDH1A1
SCHEMBL15025236 0.79 HSD17B10 (0.42) HRH3HSD17B10
SCHEMBL16194551 0.79 HSD17B10 (0.42) HRH3HSD17B10
SCHEMBL4028869 0.79 EPHX1 (0.46) HRH3OPRD1HSD17B10L3MBTL1TSHR
SCHEMBL9892347 0.78 HRH3 (0.39) HRH3TSHRMEN1KMT2AALDH1A1
SCHEMBL24757306 0.76 HRH3 (0.41) TERTHRH3S1PR1S1PR3S1PR5
SCHEMBL12788353 0.73 MAPK1 (0.35) TERTHRH3S1PR1S1PR3S1PR5

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 TERT 4831/4885HRH3 236/4885S1PR1 132/4885

“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.