SCHEMBL4816733

SCHEMBL4816733

CN1CCCC[C@@H]1C(Cc1ccccc1)C[C@H](O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL7270911 0.80 CHRNB4 (0.47) CHRM1
SCHEMBL1797593 0.75 CHRNB4 (0.50)
SCHEMBL1797592 0.75 CHRNB4 (0.50)
SCHEMBL6819282 0.75 CHRNB4 (0.50)
SCHEMBL10905608 0.74 CHRNB4 (0.47)
SCHEMBL13403259 0.74 CHRNB4 (0.49)
SCHEMBL23415178 0.72 CYP2D6 (0.72) CYP1A2CYP2D6HIF1ALMNA
SCHEMBL30136172 0.72 CYP2D6 (0.72) CYP1A2CYP2D6HIF1ALMNA
SCHEMBL3309738 0.72 CYP2D6 (0.72) CYP1A2CYP2D6HIF1ALMNA
SCHEMBL26731759 0.71 CHRNB4 (0.56) CHRM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943177-B2 Cis-2,6-disubstituted piperidines for the treatment of psychostimulant abuse and withdrawal, eating disorders, and central nervous system diseases and pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2005-09-13 US claimed
US-20040266824-A1 2,6-disubstituted piperidines and piperazine compounds UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2004-12-30 US claimed
US-7368443-B2 2,6-disubstituted piperidines and piperazine compounds UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2008-05-06 US disclosed
US-6943177-B2 Cis-2,6-disubstituted piperidines for the treatment of psychostimulant abuse and withdrawal, eating disorders, and central nervous system diseases and pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2005-09-13 US disclosed
US-20040266824-A1 2,6-disubstituted piperidines and piperazine compounds UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2004-12-30 US disclosed
US-20030100547-A1 Cis-2,6-disubstituted piperidines for the treatment of psychostimulant abuse and withdrawal, eating disorders, and central nervous system diseases and pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2003-05-29 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 (2 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-20030100547-A1 Cis-2,6-disubstituted piperidines for the treatment of psychostimulant abuse and withdrawal, eating disorders, and central nervous system diseases and pathologies SLC1A2, PNMT, SLC18A2 CHRM1 141/4885CYP1A2 161/4885CYP2D6 628/4885
US-20040266824-A1 2,6-disubstituted piperidines and piperazine compounds GRM5, GRM6, SLC1A2 CHRM1 1387/4885CYP1A2 184/4885CYP2D6 206/4885

“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.