SCHEMBL13590109

SCHEMBL13590109

C[C@H]([C@H](O)c1ccccc1)N(C)CCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 3/20 0.49
▸ ADRB2 P07550 2/20 0.49
▸ OPRM1 P35372 2/20 0.49
▸ HTR2A P28223 2/20 0.49
▸ HTR2B P41595 2/20 0.49
▸ KCNH2 Q12809 2/20 0.49
▸ CHRM2 P08172 2/20 0.49
▸ DRD2 P14416 2/20 0.49
▸ CHRM4 P08173 1/20 0.49
▸ ADRB1 P08588 1/20 0.49
▸ CHRM5 P08912 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ KCNE1 P15382 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ HRH2 P25021 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ OPRK1 P41145 1/20 0.49

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
SCHEMBL13590366 0.83 KCNH2 (0.52) CHRM3ADRB2OPRM1HTR2AHTR2B
SCHEMBL13590361 0.83 KCNH2 (0.52) CHRM3ADRB2OPRM1HTR2AHTR2B
SCHEMBL10868089 0.83 OPRM1 (0.57) CHRM3ADRB2OPRM1HTR2AHTR2B
SCHEMBL13590358 0.82 OPRM1 (0.56) CHRM3ADRB2OPRM1HTR2AHTR2B
SCHEMBL14001644 0.80 OPRM1 (0.56) CHRM3ADRB2OPRM1HTR2AHTR2B
SCHEMBL13590373 0.80 OPRM1 (0.56) CHRM3ADRB2OPRM1HTR2AHTR2B
SCHEMBL10867423 0.79 CHRM3 (0.55) CHRM3ADRB2OPRM1HTR2AHTR2B
SCHEMBL10866675 0.79 KCNH2 (0.55) CHRM3ADRB2OPRM1HTR2AHTR2B
SCHEMBL13590346 0.79 OPRM1 (0.57) CHRM3ADRB2OPRM1HTR2AHTR2B
SCHEMBL13590350 0.79 CHRM3 (0.55) CHRM3ADRB2OPRM1HTR2AHTR2B

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-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 — — US disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 — — US disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 — — 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-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 CHRM3 1/4885ADRB2 39/4885OPRM1 91/4885

“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