SCHEMBL3565651

SCHEMBL3565651

NCc1ccc(NC(=O)CCN2CCC(OC(=O)Nc3c(F)cc(F)cc3-c3cccc(Cl)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.48
CHRM2 P08172 5/20 0.48
CHRM1 P11229 5/20 0.48
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
CCR3 P51677 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL3563669 0.91 CHRM3 (0.44) CHRM3CHRM2CHRM1ALDH1A1POLB
SCHEMBL3563574 0.83 CHRM3 (0.56) CHRM3
SCHEMBL643472 0.76 CHRM3 (0.71) CHRM3
SCHEMBL3560121 0.76 CHRM1 (0.60) CHRM3CHRM2CHRM1
SCHEMBL3557125 0.74 CHRM3 (0.53) CHRM3ALDH1A1MEN1KMT2AMAPT
SCHEMBL1191084 0.70 CHRM3 (0.65) CHRM3
SCHEMBL1191254 0.69 CHRM3 (0.67) CHRM3
SCHEMBL2850557 0.69 ADRB2 (0.70) CHRM3CHRM2
SCHEMBL1190576 0.68 CHRM3 (0.65) CHRM3
SCHEMBL3445045 0.68 CHRM2 (0.70) CHRM3CHRM2

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-7858795-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-12-28 US disclosed
US-20090048299-A1 or anticholinergic agents such as biphenyl-2-ylcarbamic acid 1-[2-({6-[(4-hydroxybenzylamino)methyl]pyridin-2-ylmethyl}carbamoyl)ethyl]piperidin-4-yl ester, used for the treatment of respiratory system disorders such as chronic obstructive pulmonary disease and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2009-02-19 US disclosed
US-7456199-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
EP-1723110-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-11-22 EP disclosed
WO-2005087735-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
US-20050203139-A1 Biphenyl 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-20090048299-A1 or anticholinergic agents such as biphenyl-2-ylcarbamic acid 1-[2-({6-[(4-hydroxybenzylamino)methyl]pyridin-2-ylmethyl}carbamoyl)ethyl]piperidin-4-yl ester, used for the treatment of respiratory system disorders such as chronic obstructive pulmonary disease and asthma CHRM1, CHRM2, CHRM3 CHRM3 3/4885CHRM2 2/4885CHRM1 1/4885
US-20050203139-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 CHRM3 3/4885CHRM2 2/4885CHRM1 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.