SCHEMBL5358277

SCHEMBL5358277

NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCCCCN2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.53
HTR2B P41595 2/20 0.53
HTR7 P34969 1/20 0.53
HRH1 P35367 1/20 0.53
DRD3 P35462 1/20 0.53
ADRB2 P07550 2/20 0.52
CHRM3 P20309 2/20 0.52
DRD2 P14416 2/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
ADRB1 P08588 1/20 0.52
CHRM5 P08912 1/20 0.52
ADRA2A P08913 1/20 0.52
CHRM1 P11229 1/20 0.52
KCNE1 P15382 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
HRH2 P25021 1/20 0.52
HTR2A P28223 1/20 0.52
SLC6A4 P31645 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
SCHEMBL5425845 1.00 HTR1A (0.53) HTR1AHTR2BHTR7HRH1DRD3
SCHEMBL13590304 1.00 HTR1A (0.53) HTR1AHTR2BHTR7HRH1DRD3
SCHEMBL14026300 0.92 CHRM2 (0.52) CHRM2
SCHEMBL14025291 0.92 CHRM2 (0.52) CHRM2
SCHEMBL13590296 0.92 CHRM2 (0.52) CHRM2
SCHEMBL13590421 0.92 CHRM2 (0.52) CHRM2
SCHEMBL13590468 0.92 CHRM2 (0.52) CHRM2
SCHEMBL14025278 0.92 CHRM2 (0.54) CHRM2
SCHEMBL13592245 0.92 CHRM2 (0.54) CHRM2
SCHEMBL13590536 0.92 ACHE (0.49) HTR1AHTR2BHTR7HRH1DRD3

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-7208515-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2007-04-24 US disclosed
US-20070032524-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2007-02-08 US disclosed
US-7151115-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2006-12-19 US disclosed
EP-1725525-A1 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-11-29 EP disclosed
US-7071224-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2006-07-04 US disclosed
US-20060122182-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2006-06-08 US disclosed
WO-2005087722-A1 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
US-20050203161-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 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-20060122182-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM5 HTR1A 297/4885HTR2B 289/4885HTR7 483/4885
US-20070032524-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM5 HTR1A 297/4885HTR2B 289/4885HTR7 483/4885
US-20050203161-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 HTR1A 269/4885HTR2B 238/4885HTR7 476/4885

“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.