SCHEMBL9891802

SCHEMBL9891802

CCCc1cc(NC(=O)C(C)C)on1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
ADORA2B P29275 1/20 0.47
RPS6KA2 Q15349 1/20 0.41
RAB9A P51151 6/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 4/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
PPARA Q07869 1/20 0.37
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9893070 0.84 MAPK14 (0.47) MAPK14ADORA2BRPS6KA2RAB9AHPGD
SCHEMBL11738978 0.80 MAPK14 (0.44) MAPK14ADORA2BRPS6KA2RAB9AHPGD
SCHEMBL9892349 0.80 MAPK14 (0.44) MAPK14ADORA2BRPS6KA2RAB9AHPGD
SCHEMBL9891916 0.80 MAPK14 (0.57) MAPK14RAB9AALDH1A1LMNATSHR
SCHEMBL9891810 0.75 ALDH1A1 (0.50) MAPK14ADORA2BRAB9AALDH1A1LMNA
SCHEMBL15000477 0.75 ALDH1A1 (0.60) ADORA2BRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL9713191 0.75 MAPK14 (0.48) MAPK14ADORA2BRPS6KA2RAB9AALDH1A1
SCHEMBL9891811 0.73 ALDH1A1 (0.64) MAPK14RPS6KA2RAB9AALDH1A1LMNA
Hydrochloric Acid SCHEMBL28560605 0.73 MAPK14 (0.39) MAPK14ADORA2BRPS6KA2RAB9AHPGD
SCHEMBL16542496 0.72 MAPK14 (0.37) MAPK14ADORA2BRPS6KA2RAB9AHPGD

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 MAPK14 1949/4885ADORA2B 130/4885RPS6KA2 643/4885

“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.