SCHEMBL5203631

SCHEMBL5203631

O=C(O)CCCc1c[nH]c2ccc(F)cc12

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MPO P05164 15/20 0.80
SLC6A4 P31645 5/20 0.80
TSHR P16473 1/20 0.69
NOTUM Q6P988 2/20 0.60
HTR2A P28223 1/20 0.60
TRPM8 Q7Z2W7 1/20 0.60
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
HTR1A P08908 1/20 0.59

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
SCHEMBL5344966 0.96 MPO (0.80) MPOSLC6A4TSHRNOTUMHTR2A
SCHEMBL5338627 0.94 MPO (0.78) MPOSLC6A4TSHRNOTUMHTR2A
SCHEMBL3655654 0.91 MPO (0.76) MPOSLC6A4TSHRNOTUMHTR2A
SCHEMBL29902243 0.91 MPO (0.76) MPOSLC6A4TSHRNOTUMHTR2A
SCHEMBL4463073 0.89 MPO (0.68) MPOSLC6A4TSHRNOTUMHTR2A
SCHEMBL3695233 0.89 MPO (1.00) MPOSLC6A4TSHRNOTUMHTR2A
SCHEMBL5792523 0.87 MPO (0.78) MPOSLC6A4TSHRNOTUMMTNR1A
SCHEMBL19051589 0.85 MPO (0.68) MPOSLC6A4TSHRNOTUMMTNR1A
SCHEMBL2410329 0.84 MPO (1.00) MPOSLC6A4TSHRNOTUMHTR2A
SCHEMBL1270126 0.84 NPSR1 (0.68) MPOSLC6A4TSHRNOTUMHTR2A

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 30 patents — showing the first 20. 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
CN-122059867-A Substituted indole compounds, preparation method and application thereof 安徽医科大学 2026-05-19 CN disclosed
CN-101679250-A Ppar active compounds PLEXXIKON INC 2010-03-24 CN disclosed
EP-0998474-B1 PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-07 EP disclosed
US-7173045-B2 4-aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2007-02-06 US disclosed
CN-1860112-A 3-amino chroman and 2-amino tetralin derivatives WYETH CORP (US) 2006-11-08 CN disclosed
EP-1651637-A1 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES Wyeth (US) 2006-05-03 EP disclosed
US-20050245593-A1 4-Aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2005-11-03 US disclosed
US-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives WYETH (US) 2005-02-10 US disclosed
WO-2005012291-A1 3-AMINO CHOMAN AND 2-AMINO TETRALIN DERIVATIVES WYETH (US) 2005-02-10 WO disclosed
CN-1205700-A Indolylalkyl derivatives of benzodioxan methylamines as 5-HTiA receptor ligands AMERICAN HOME PROD (US) 1999-01-20 CN disclosed
WO-1998057953-A1 3-BENZYLPIPERIDINE MERCK PATENT GMBH (DE) 1998-12-23 WO disclosed
EP-0861248-A1 INDOLEALKYL DERIVATIVES OF BENZODIOXANMETHYLAMINE AS 5-HT1A RECEPTOR LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-09-02 EP disclosed
US-5750724-A SEROTONIN 5-HT REUPTAKE INHIBITORS; ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US disclosed
US-5721276-A TREATING DISORDERS OF MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-02-24 US disclosed
WO-1997017343-A1 INDOLEALKYL DERIVATIVES OF BENZODIOXANMETHYLAMINE AS 5-HT1A RECEPTOR LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-15 WO disclosed
EP-0376607-B1 Piperazinyl derivatives LUNDBECK & CO AS H (DK) 1994-03-02 EP disclosed
US-5002948-A Central Nervous System Disorders H. LUNDBECK A/S (DK) 1991-03-26 US disclosed
EP-0376607-A1 Piperazinyl derivatives H. LUNDBECK A/S (DK) 1990-07-04 EP 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-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives TPH2, HTR2C, HTR7 MPO 4464/4885SLC6A4 32/4885TSHR 505/4885
US-20050245593-A1 4-Aminomethyl-1-aryl-cyclohexylamine compounds HNMT, PNMT, INMT MPO 2831/4885SLC6A4 49/4885TSHR 1669/4885

“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.