SCHEMBL2040896

SCHEMBL2040896

C[C@@H](Oc1cc(F)ccc1F)c1ccnc(N)n1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
HRH4 Q9H3N8 9/20 0.49
HTR1A P08908 5/20 0.48
DRD2 P14416 5/20 0.48
HTR2A P28223 5/20 0.48
HTR6 P50406 5/20 0.48
HTR7 P34969 4/20 0.48
MET P08581 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
ALK Q9UM73 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL2037273 1.00 POLB (0.61) POLBHRH4HTR1ADRD2HTR2A
SCHEMBL2037270 1.00 POLB (0.61) POLBHRH4HTR1ADRD2HTR2A
SCHEMBL2037138 0.89 POLB (0.61) POLBHRH4HTR1ADRD2HTR2A
SCHEMBL2037137 0.89 POLB (0.61) POLBHRH4HTR1ADRD2HTR2A
SCHEMBL2031705 0.87 POLB (0.65) POLBHRH4HTR1ADRD2HTR2A
SCHEMBL2031702 0.87 POLB (0.65) POLBHRH4HTR1ADRD2HTR2A
SCHEMBL13278124 0.84 POLB (0.77) POLBHRH4HTR1ADRD2HTR2A
SCHEMBL13278125 0.84 POLB (0.77) POLBHRH4HTR1ADRD2HTR2A
SCHEMBL2035524 0.81 POLB (0.58) POLBHRH4HTR1ADRD2HTR2A
SCHEMBL2035522 0.81 POLB (0.58) POLBHRH4HTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516397-B1 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME (NL) 2016-07-13 EP claimed
US-8952001-B2 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME CORP. (US) 2015-02-10 US claimed
EP-2516397-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS MSD Oss B.V. (NL) 2012-10-31 EP claimed
US-20120264728-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-10-18 US claimed
WO-2011076723-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS N.V. ORGANON (NL) 2011-06-30 WO claimed
EP-2516397-B1 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME (NL) 2016-07-13 EP disclosed
US-8952001-B2 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME CORP. (US) 2015-02-10 US disclosed
EP-2516397-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS MSD Oss B.V. (NL) 2012-10-31 EP disclosed
US-20120264728-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-10-18 US disclosed
WO-2011076723-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS N.V. ORGANON (NL) 2011-06-30 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-20120264728-A1 AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS HCN1, HCN3, HCN2 POLB 3931/4885HRH4 54/4885HTR1A 280/4885

“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.