SCHEMBL9891876

SCHEMBL9891876

CC(C)(C)OC(=O)CN1CCCC1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CTSK P43235 1/20 0.33
EPHX1 P07099 1/20 0.33
SLC6A9 P48067 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL22541505 0.85 TACR1 (0.38) HRH3ALDH1A1HSD17B10SLC6A9
SCHEMBL9891878 0.84 HRH3 (0.41) HRH3ALDH1A1MEN1MAPTKMT2A
SCHEMBL2434507 0.83 L3MBTL1 (0.42) HRH3ALDH1A1MEN1MAPTKMT2A
SCHEMBL19060492 0.82 HRH3 (0.48) HRH3ALDH1A1MEN1KMT2AHPGD
SCHEMBL16480466 0.82 HRH3 (0.48) HRH3ALDH1A1MEN1KMT2AHPGD
SCHEMBL28162729 0.81 HRH3 (0.37) HRH3ALDH1A1MEN1MAPTKMT2A
SCHEMBL9891877 0.80 LMNA (0.38) HRH3HSD17B10SLC6A9
SCHEMBL19022219 0.79 HSD17B10 (0.47) HRH3MAPTHSD17B10KDM4E
SCHEMBL9893118 0.79 MEN1 (0.41) HRH3ALDH1A1MEN1MAPTKMT2A
SCHEMBL1912615 0.79 HSD17B10 (0.47) HRH3MAPTHSD17B10KDM4E

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 3 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
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 236/4885ALDH1A1 3279/4885MEN1 4874/4885

“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.