SCHEMBL2031702

SCHEMBL2031702

C[C@@H](Oc1cc(F)ccc1Cl)c1ccnc(N)n1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
HTR1A P08908 2/20 0.50
DRD2 P14416 2/20 0.50
HTR2A P28223 2/20 0.50
HTR6 P50406 2/20 0.50
HTR7 P34969 1/20 0.50
HRH4 Q9H3N8 7/20 0.47
JAK2 O60674 8/20 0.45
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
MET P08581 1/20 0.42

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
SCHEMBL2031705 1.00 POLB (0.65) POLBHTR1ADRD2HTR2AHTR6
SCHEMBL13278124 0.90 POLB (0.77) POLBHTR1ADRD2HTR2AHTR6
SCHEMBL13278125 0.90 POLB (0.77) POLBHTR1ADRD2HTR2AHTR6
SCHEMBL2040896 0.87 POLB (0.61) POLBHTR1ADRD2HTR2AHTR6
SCHEMBL2037073 0.87 POLB (0.81) POLBHTR1ADRD2HTR2AHTR6
SCHEMBL2037071 0.87 POLB (0.81) POLBHTR1ADRD2HTR2AHTR6
SCHEMBL2037270 0.87 POLB (0.61) POLBHTR1ADRD2HTR2AHTR6
SCHEMBL2037273 0.87 POLB (0.61) POLBHTR1ADRD2HTR2AHTR6
SCHEMBL13277831 0.86 POLB (0.70) POLBHTR1ADRD2HTR2AHTR6
SCHEMBL13277833 0.86 POLB (0.70) POLBHTR1ADRD2HTR2AHTR6

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 12 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
CN-102884048-A Amino-heteroaryl derivatives as HCN blockers MSD OSS BV 2013-01-16 CN 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
CN-102884048-A Amino-heteroaryl derivatives as HCN blockers MSD OSS BV 2013-01-16 CN 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 3931/4885HTR1A 280/4885DRD2 1315/4885

“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.