SCHEMBL13785557

SCHEMBL13785557

CCCN1CCC(C(C(C)=O)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.47
▸ OPRM1 P35372 2/20 0.47
▸ OPRK1 P41145 2/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ CHRM5 P08912 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ KCNE1 P15382 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ HRH2 P25021 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ KCNQ1 P51787 1/20 0.47

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
SCHEMBL13785556 0.92 CYP2J2 (0.51) DRD2OPRM1OPRK1ADRB2CHRM2
SCHEMBL13601296 0.89 OPRM1 (0.44) DRD2OPRM1OPRK1ADRB2CHRM2
SCHEMBL13721373 0.88 CHRM3 (0.60) DRD2OPRM1OPRK1ADRB2CHRM2
SCHEMBL13785561 0.87 CYP2J2 (0.49) DRD2OPRM1OPRK1ADRB2CHRM2
SCHEMBL14518960 0.86 KCNH2 (0.44) DRD2OPRM1OPRK1ADRB2CHRM2
SCHEMBL13592231 0.84 KCNH2 (0.56) DRD2OPRM1OPRK1ADRB2CHRM2
SCHEMBL12052721 0.84 KCNH2 (0.44) DRD2OPRM1OPRK1ADRB2CHRM2
SCHEMBL14518959 0.84 OPRM1 (0.42) DRD2OPRM1OPRK1ADRB2CHRM2
SCHEMBL13601289 0.83 OPRM1 (0.42) DRD2OPRM1OPRK1ADRB2CHRM2
SCHEMBL13621092 0.82 ATM (0.52) CHRM4CHRM5CHRM1CHRM3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20070254943-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 DRD2 79/4885OPRM1 50/4885OPRK1 218/4885

“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.

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