SCHEMBL9892337

SCHEMBL9892337

CC1CC(NC(=O)C(C)(C)C)CC(C)(C)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
PPP1CA P62136 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.35
CPB2 Q96IY4 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PAK1 Q13153 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
APLNR P35414 1/20 0.31

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
SCHEMBL20462579 0.85 ALDH1A1 (0.44) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL14296414 0.82 ALDH1A1 (0.63) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL1555270 0.80 ALDH1A1 (0.61) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL1555271 0.80 ALDH1A1 (0.61) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL1555269 0.80 ALDH1A1 (0.61) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL2024842 0.80 ALDH1A1 (0.61) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL20462572 0.79 ALDH1A1 (0.46) ALDH1A1LMNANPSR1CA12CA1
SCHEMBL19976050 0.79 ALDH1A1 (0.52) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL7963467 0.79 ALDH1A1 (0.59) ALDH1A1LMNAHTTPPP1CATDP1
SCHEMBL7963465 0.79 ALDH1A1 (0.59) ALDH1A1LMNAHTTPPP1CATDP1

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 ALDH1A1 3279/4885LMNA 4696/4885HTT 3335/4885

“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.