SCHEMBL9891878

SCHEMBL9891878

CC(C)(C)OC(=O)CCN1CCCC1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.41
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL9891876 0.84 HRH3 (0.37) HRH3MEN1ALDH1A1MAPTKMT2A
SCHEMBL30085037 0.84 HRH3 (0.40) HRH3
SCHEMBL16480467 0.83 HRH3 (0.55) HRH3
SCHEMBL16194551 0.81 HSD17B10 (0.42) HRH3SMN1; SMN2HSD17B10
SCHEMBL15025236 0.81 HSD17B10 (0.42) HRH3SMN1; SMN2HSD17B10
SCHEMBL9893052 0.81 TERT (0.41) HRH3MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL9892347 0.79 HRH3 (0.39) HRH3MEN1ALDH1A1MAPTKMT2A
SCHEMBL24926280 0.73 HTT (0.37) HRH3
SCHEMBL22541505 0.73 TACR1 (0.38) HRH3ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12014400 0.72 ALDH1A1 (0.48) MEN1ALDH1A1MAPTKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
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 HRH3 236/4885MEN1 4874/4885ALDH1A1 3279/4885

“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.