SCHEMBL5340537

SCHEMBL5340537

O=C(O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.68
OPRM1 P35372 3/20 0.59
OPRK1 P41145 3/20 0.59
OPRL1 P41146 3/20 0.59
SLC6A4 P31645 3/20 0.56
CCR2 P41597 2/20 0.55
HTR1A P08908 3/20 0.54
HTR1D P28221 2/20 0.54
HTR1B P28222 1/20 0.54
HTR1F P30939 1/20 0.54
KDM4E B2RXH2 1/20 0.53
BRD4 O60885 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
CREBBP Q92793 1/20 0.53
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL6347867 0.93 HSD11B1 (0.76) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL6184605 0.90 DRD2 (0.61) HSD11B1OPRM1OPRL1SLC6A4CCR2
SCHEMBL18324763 0.89 KDM4E (0.69) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL10922885 0.87 HSD11B1 (0.66) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL4769253 0.85 OPRM1 (0.63) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL1121919 0.85 HTR1D (0.68) HSD11B1CCR2HTR1AHTR1DHTR1B
SCHEMBL6165281 0.84 HSD11B1 (0.58) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL8556742 0.83 HSD11B1 (0.61) HSD11B1OPRM1OPRK1OPRL1SLC6A4
Bicarbonate SCHEMBL7460768 0.83 HSD11B1 (0.65) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL4674153 0.83 HSD11B1 (0.60) HSD11B1OPRM1OPRK1OPRL1SLC6A4

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 14 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 claimed
US-20050245593-A1 4-Aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2005-11-03 US claimed
EP-1562891-A1 4-AMINOMETHYL-1-ARYL-CYCLOHEXYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-08-17 EP claimed
WO-2004043899-A1 4-AMINOMETHYL-1-ARYL-CYCLOHEXYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2004-05-27 WO claimed
US-6509340-B1 These preparations can be employed as medicaments in human and veterinary medicine. Possible excipients are organic or inorganic substances which are suitable for enteral (e.g. oral) on the central nervous system. MERCK PATENTGESELLSCHAFT (DE) 2003-01-21 US claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
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
US-20050176730-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as 5-HT 1B/1D ligands MERCK PATENT GMBH (DE) 2005-08-11 US disclosed
WO-2004043899-A1 4-AMINOMETHYL-1-ARYL-CYCLOHEXYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2004-05-27 WO disclosed
US-20030064995-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as5-HT1B/1D ligands MERCK PATENT GMBH (DE) 2003-04-03 US disclosed
US-6509340-B1 These preparations can be employed as medicaments in human and veterinary medicine. Possible excipients are organic or inorganic substances which are suitable for enteral (e.g. oral) on the central nervous system. MERCK PATENTGESELLSCHAFT (DE) 2003-01-21 US disclosed
CN-1336924-A Amide and urea derivatives as 5-HT reuptake inhibitors and at 5-HT 1B/1D ligands MERCK PATENT GMBH (DE) 2002-02-20 CN 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-20050245593-A1 4-Aminomethyl-1-aryl-cyclohexylamine compounds HNMT, PNMT, INMT HSD11B1 3086/4885OPRM1 69/4885OPRK1 190/4885
US-20050176730-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as 5-HT 1B/1D ligands HTR1B, HTR1D, HTR1A HSD11B1 2163/4885OPRM1 23/4885OPRK1 43/4885
US-20030064995-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as5-HT1B/1D ligands HTR5A, HTR1B, HTR1A HSD11B1 3340/4885OPRM1 17/4885OPRK1 52/4885

“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.