SCHEMBL3273608

SCHEMBL3273608

CCC(=O)N(c1ccccc1)[C@@H](C)[C@@H]1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.46
KMT2A Q03164 1/20 0.42
SLC6A2 P23975 8/20 0.41
SLC6A4 P31645 8/20 0.41
CPN1 P15169 1/20 0.41
CPB2 Q96IY4 1/20 0.41
GHSR Q92847 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A3 Q01959 4/20 0.39
OPRM1 P35372 3/20 0.39
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL13400173 1.00 TRPM8 (0.46) TRPM8KMT2ASLC6A2SLC6A4CPN1
SCHEMBL3278539 1.00 TRPM8 (0.46) TRPM8KMT2ASLC6A2SLC6A4CPN1
SCHEMBL5870950 0.85 OPRD1 (0.41) KMT2ASLC6A2SLC6A4CPN1CPB2
SCHEMBL5870807 0.84 OPRD1 (0.38) TRPM8KMT2ASLC6A2SLC6A4CPN1
SCHEMBL5871051 0.84 OPRD1 (0.43) TRPM8KMT2ASLC6A2SLC6A4CPN1
SCHEMBL7498243 0.83 OPRD1 (0.44) KMT2ASLC6A2SLC6A4GHSRSLC6A3
SCHEMBL5871033 0.83 OPRD1 (0.44) KMT2ASLC6A2SLC6A4GHSRSLC6A3
SCHEMBL5871013 0.83 KMT2A (0.40) KMT2ASLC6A2SLC6A4CPN1CPB2
SCHEMBL7503837 0.83 OPRD1 (0.44) KMT2ASLC6A2SLC6A4GHSRSLC6A3
SCHEMBL7493957 0.81 KMT2A (0.36) KMT2ASLC6A2SLC6A4CPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7692019-B2 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. (US) 2010-04-06 US disclosed
US-7692019-B2 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. (US) 2010-04-06 US disclosed
US-7692019-B2 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. (US) 2010-04-06 US disclosed
US-20060211864-A1 Methods for the stereoselective synthesis of substituted piperidines AQUILA BRIAN M 2006-09-21 US disclosed
US-7005524-B2 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. (US) 2006-02-28 US disclosed
US-20040235893-A1 Methods for the stereoselective synthesis of substituted piperidines AQUILA BRIAN M (US) 2004-11-25 US disclosed
US-6703508-B2 ANALGESICS SEPRACOR, INC. 2004-03-09 US disclosed
US-20020177721-A1 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. 2002-11-28 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 (3 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-20040235893-A1 Methods for the stereoselective synthesis of substituted piperidines OPRK1, OPRL1, HTR5A TRPM8 3105/4885KMT2A 1474/4885SLC6A2 218/4885
US-20060211864-A1 Methods for the stereoselective synthesis of substituted piperidines OPRK1, OPRL1, HTR5A TRPM8 3105/4885KMT2A 1474/4885SLC6A2 218/4885
US-20020177721-A1 Methods for the stereoselective synthesis of substituted piperidines OPRK1, OPRL1, HTR5A TRPM8 3105/4885KMT2A 1474/4885SLC6A2 218/4885

“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.