SCHEMBL9891823

SCHEMBL9891823

CC(C)(C)C1CCCN1C1=CC(=O)CCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.42
SRD5A1 P18405 3/20 0.35
SRD5A2 P31213 3/20 0.35
LMNA P02545 1/20 0.31
PIK3C3 Q8NEB9 2/20 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
SCHEMBL16480419 0.79 MAPT (0.52) MAPTALDH1A1KMT2ASRD5A1SRD5A2
SCHEMBL9891824 0.78 MAPT (0.53) MAPTALDH1A1KMT2ASRD5A1SRD5A2
SCHEMBL9893050 0.75 MAPT (0.47) MAPTALDH1A1KMT2ASRD5A1SRD5A2
SCHEMBL28790486 0.67 MAPT (0.69) MAPTALDH1A1KMT2ASRD5A1
SCHEMBL15448162 0.66 MAPT (0.72) MAPTALDH1A1KMT2A
SCHEMBL24775523 0.65 LMNA (0.44) MAPTKMT2ALMNA
SCHEMBL24421824 0.64 MAPT (0.87) MAPTALDH1A1KMT2ASRD5A1LMNA
SCHEMBL9891859 0.64 NUDT1 (0.36) ALDH1A1LMNA
SCHEMBL22606166 0.63 ALDH1A1 (0.83) MAPTALDH1A1KMT2ALMNA
SCHEMBL16906206 0.62 MAPT (0.74) MAPTALDH1A1KMT2ALMNA

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 MAPT 4057/4885ALDH1A1 3279/4885KMT2A 3551/4885

“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.