SCHEMBL4423496

SCHEMBL4423496

CCNCCc1ccc(CCN2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.60
▸ ADRB2 P07550 2/20 0.60
▸ CHRM3 P20309 2/20 0.60
▸ OPRK1 P41145 2/20 0.60
▸ KCNH2 Q12809 2/20 0.60
▸ CHRM2 P08172 1/20 0.60
▸ CHRM4 P08173 1/20 0.60
▸ ADRB1 P08588 1/20 0.60
▸ CHRM5 P08912 1/20 0.60
▸ ADRA2A P08913 1/20 0.60
▸ CHRM1 P11229 1/20 0.60
▸ DRD2 P14416 1/20 0.60
▸ KCNE1 P15382 1/20 0.60
▸ ADRA2B P18089 1/20 0.60
▸ ADRA2C P18825 1/20 0.60
▸ HRH2 P25021 1/20 0.60
▸ HTR2A P28223 1/20 0.60
▸ SLC6A4 P31645 1/20 0.60
▸ ADRA1A P35348 1/20 0.60
▸ HTR2B P41595 1/20 0.60

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
SCHEMBL4423491 1.00 OPRM1 (0.60) OPRM1ADRB2CHRM3OPRK1KCNH2
SCHEMBL4423560 0.93 CHRM3 (0.63) OPRM1ADRB2CHRM3OPRK1KCNH2
SCHEMBL4423562 0.93 CHRM3 (0.63) OPRM1ADRB2CHRM3OPRK1KCNH2
SCHEMBL4420411 0.90 CHRM3 (0.62) OPRM1ADRB2CHRM3OPRK1KCNH2
SCHEMBL4420417 0.90 CHRM3 (0.62) OPRM1ADRB2CHRM3OPRK1KCNH2
SCHEMBL4419317 0.88 CHRM3 (0.57) OPRM1ADRB2CHRM3OPRK1KCNH2
SCHEMBL4419313 0.88 CHRM3 (0.57) OPRM1ADRB2CHRM3OPRK1KCNH2
SCHEMBL9361499 0.87 CHRM3 (0.69) OPRM1ADRB2CHRM3OPRK1KCNH2
SCHEMBL9361492 0.87 CHRM3 (0.69) OPRM1ADRB2CHRM3OPRK1KCNH2
SCHEMBL4422187 0.87 CHRM3 (0.59) OPRM1ADRB2CHRM3OPRK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250414-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2007-07-31 — — US claimed
WO-2005087763-A9 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2005-10-27 — — WO claimed
US-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 — — US claimed
US-7557126-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-07-07 — — US disclosed
US-20070254943-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-11-01 — — US disclosed
US-7250414-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2007-07-31 — — US disclosed
EP-1723142-A1 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-11-22 — — EP disclosed
WO-2005087763-A9 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2005-10-27 — — WO disclosed
WO-2005087763-A1 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 — — WO disclosed
US-20050203167-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 (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-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 OPRM1 50/4885ADRB2 16/4885CHRM3 3/4885
US-20070254943-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 OPRM1 50/4885ADRB2 16/4885CHRM3 3/4885

“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.

Send feedback