SCHEMBL5344966

SCHEMBL5344966

O=C(O)CCCCc1c[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 0.73
TSHR P16473 1/20 0.68
NOTUM Q6P988 2/20 0.59
MTNR1A P48039 1/20 0.59
MTNR1B P49286 1/20 0.59
HTR2A P28223 1/20 0.58
TRPM8 Q7Z2W7 1/20 0.58
HTR1A P08908 1/20 0.58

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
SCHEMBL5338627 0.99 MPO (0.78) MPOSLC6A4TSHRNOTUMMTNR1A
SCHEMBL5203631 0.96 MPO (0.80) MPOSLC6A4TSHRNOTUMMTNR1A
SCHEMBL29902243 0.90 MPO (0.76) MPOSLC6A4TSHRNOTUMMTNR1A
SCHEMBL3655654 0.90 MPO (0.76) MPOSLC6A4TSHRNOTUMMTNR1A
SCHEMBL2410329 0.89 MPO (1.00) MPOSLC6A4TSHRNOTUMMTNR1A
SCHEMBL4463073 0.88 MPO (0.68) MPOSLC6A4TSHRNOTUMMTNR1A
SCHEMBL3695233 0.84 MPO (1.00) MPOSLC6A4TSHRNOTUMMTNR1A
SCHEMBL19051589 0.84 MPO (0.68) MPOSLC6A4TSHRNOTUMMTNR1A
Oxalic Acid SCHEMBL3699113 0.84 MPO (0.84) MPOSLC6A4TSHRNOTUMHTR2A
SCHEMBL5792523 0.83 MPO (0.78) MPOSLC6A4TSHRNOTUMMTNR1A

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-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
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 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.