SCHEMBL962503

SCHEMBL962503

NCCCCCCCCCN1CC[C@@H](C(C(N)=O)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.57
KCNH2 Q12809 3/20 0.57
ADRB2 P07550 2/20 0.57
CHRM2 P08172 2/20 0.57
CHRM4 P08173 1/20 0.57
ADRB1 P08588 1/20 0.57
CHRM5 P08912 1/20 0.57
ADRA2A P08913 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD2 P14416 1/20 0.57
KCNE1 P15382 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
HRH2 P25021 1/20 0.57
HTR2A P28223 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRM1 P35372 1/20 0.57
OPRK1 P41145 1/20 0.57
HTR2B P41595 1/20 0.57

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
SCHEMBL4353693 1.00 CHRM3 (0.57) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL4353701 1.00 CHRM3 (0.57) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL5425075 1.00 CHRM3 (0.57) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL962504 1.00 CHRM3 (0.57) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL5352925 1.00 CHRM3 (0.57) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL13590337 0.95 CHRM3 (0.61) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL13590293 0.95 CHRM3 (0.61) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL13590478 0.95 CHRM3 (0.61) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL13590079 0.95 CHRM3 (0.61) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL13590341 0.95 CHRM3 (0.61) CHRM3KCNH2ADRB2CHRM2CHRM4

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-8008278-B2 Diarylmethyl and related compounds THERAVANCE, INC. (US) 2011-08-30 US disclosed
US-20110015152-A1 DIARYLMETHYL AND RELATED COMPOUNDS THERAVANCE, INC. (US) 2011-01-20 US disclosed
US-7829728-B2 Diarymethyl and related compounds THERAVANCE, INC. (US) 2010-11-09 US disclosed
US-20080114030-A1 Diarymethyl and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-05-15 US disclosed
US-7317102-B2 Diarylmethyl and related compounds THERAVANCE, INC. (US) 2008-01-08 US disclosed
US-20060287369-A1 Diarylmethyl and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2006-12-21 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-20080114030-A1 Diarymethyl and related compounds ADRB2, ADRB1, ADRA2B CHRM3 12/4885KCNH2 403/4885ADRB2 1/4885
US-20060287369-A1 Diarylmethyl and related compounds ADRB2, ADRB1, ADRA2B CHRM3 12/4885KCNH2 290/4885ADRB2 1/4885
US-20110015152-A1 DIARYLMETHYL AND RELATED COMPOUNDS ADRB2, ADRB1, ADRA2B CHRM3 12/4885KCNH2 290/4885ADRB2 1/4885

“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.