SCHEMBL4820420

SCHEMBL4820420

FC(F)(F)c1ccc2c(c1)CNNC2

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.56
TDP2 O95551 2/20 0.47
PARP1 P09874 1/20 0.43
PARP10 Q53GL7 1/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
ASIC3 Q9UHC3 1/20 0.42
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
HTR2B P41595 4/20 0.41
NOTUM Q6P988 1/20 0.37
PTPN5 P54829 1/20 0.36

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
SCHEMBL2310562 0.87 PNMT (0.56) PNMTTDP2PARP1PARP10CHRNB2
SCHEMBL29835145 0.87 PNMT (0.56) PNMTTDP2PARP1PARP10CHRNB2
Hydrochloric Acid SCHEMBL1647036 0.85 PNMT (0.54) PNMTTDP2PARP1PARP10CHRNB2
Bromide SCHEMBL2310632 0.85 PNMT (0.54) PNMTTDP2PARP1PARP10CHRNB2
Hydrochloric Acid SCHEMBL29627981 0.85 PNMT (0.54) PNMTTDP2PARP1PARP10CHRNB2
Bromide SCHEMBL2310627 0.83 PNMT (0.53) PNMTTDP2PARP1PARP10CHRNB2
SCHEMBL329770 0.76 ASIC3 (0.69) PNMTPARP1PARP10ASIC3HTR2A
SCHEMBL29808272 0.76 ASIC3 (0.60) PNMTPARP1PARP10ASIC3HTR2A
SCHEMBL183621 0.76 ASIC3 (0.60) PNMTPARP1PARP10ASIC3HTR2A
Hydrochloric Acid SCHEMBL1000239 0.75 ASIC3 (0.59) PNMTPARP1PARP10ASIC3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606280-A4 TETRAHYDROPYRANYL CYCLOPENTYL HETEROCYLIC AMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2008-12-24 EP disclosed
US-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-20060178363-A1 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2006-08-10 US disclosed
EP-1606280-A2 TETRAHYDROPYRANYL CYCLOPENTYL HETEROCYLIC AMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co. Inc. (US) 2005-12-21 EP disclosed
WO-2004082616-A2 TETRAHYDROPYRANYL CYCLOPENTYL HETEROCYLIC AMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO. INC. (US) 2004-09-30 WO 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-20060178363-A1 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity CCR1, CCR2, CCR5 PNMT 4295/4885TDP2 3712/4885PARP1 3188/4885

“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.