SCHEMBL5340673

SCHEMBL5340673

CN(C)C1(c2ccccc2)CCC(CNC(=O)Cc2c[nH]c3ccccc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.63
OPRM1 P35372 7/20 0.63
NPY5R Q15761 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
LMNA P02545 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45

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
Hydrochloric Acid SCHEMBL5336638 0.99 OPRL1 (0.62) OPRL1OPRM1NPY5RBCHEACHE
SCHEMBL6168849 0.88 OPRL1 (0.59) OPRL1OPRM1BCHEACHEHTT
Hydrochloric Acid SCHEMBL5339275 0.88 OPRL1 (0.60) OPRL1OPRM1BCHEACHEKMT2A
SCHEMBL6165082 0.87 OPRL1 (0.58) OPRL1OPRM1BCHEACHEHTT
SCHEMBL5165880 0.87 OPRL1 (0.73) OPRL1OPRM1NPY5RBCHEACHE
SCHEMBL5349434 0.86 OPRL1 (0.72) OPRL1OPRM1BCHEACHELMNA
SCHEMBL2378435 0.86 OPRL1 (0.66) OPRL1OPRM1BCHEACHELMNA
Hydrochloric Acid SCHEMBL5167184 0.86 OPRL1 (0.72) OPRL1OPRM1NPY5RBCHEACHE
Hydrochloric Acid SCHEMBL5336014 0.85 OPRL1 (0.71) OPRL1OPRM1BCHEACHELMNA
SCHEMBL4855428 0.85 OPRL1 (0.66) OPRL1OPRM1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173045-B2 4-aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2007-02-06 US disclosed
US-20050245593-A1 4-Aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2005-11-03 US disclosed
EP-1562891-A1 4-AMINOMETHYL-1-ARYL-CYCLOHEXYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-08-17 EP disclosed
WO-2004043899-A1 4-AMINOMETHYL-1-ARYL-CYCLOHEXYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2004-05-27 WO 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-20050245593-A1 4-Aminomethyl-1-aryl-cyclohexylamine compounds HNMT, PNMT, INMT OPRL1 378/4885OPRM1 69/4885NPY5R 198/4885

“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.