SCHEMBL9893007

SCHEMBL9893007

CCC1CCCN1C1=CC(=O)CC(C)(C)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 5/20 0.51
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.35
AR P10275 1/20 0.35
TP53 P04637 1/20 0.34
MAP3K12 Q12852 1/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
BRCA1 P38398 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL16480458 0.81 MAPT (0.57) MAPTHPGDALDH1A1NPSR1LMNA
SCHEMBL9893050 0.78 MAPT (0.47) MAPTALDH1A1ARMEN1KMT2A
SCHEMBL9891824 0.77 MAPT (0.53) MAPTHPGDALDH1A1NPSR1LMNA
SCHEMBL24415299 0.70 MAPT (0.93) MAPTHPGDALDH1A1NPSR1LMNA
SCHEMBL23229431 0.70 MAPT (1.00) MAPTHPGDALDH1A1NPSR1LMNA
SCHEMBL12869178 0.69 ALDH1A1 (1.00) MAPTHPGDALDH1A1NPSR1LMNA
SCHEMBL27772514 0.68 AR (0.41) MAPTHPGDALDH1A1NPSR1TSHR
SCHEMBL5970126 0.68 MAPT (0.96) MAPTHPGDALDH1A1NPSR1LMNA
SCHEMBL24415315 0.67 ALDH1A1 (0.72) MAPTHPGDALDH1A1NPSR1LMNA
SCHEMBL15431904 0.64 ALDH1A1 (0.86) MAPTHPGDALDH1A1NPSR1LMNA

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 MAPT 4057/4885HPGD 601/4885ALDH1A1 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.