SCHEMBL4095513

SCHEMBL4095513

C=CCN(C)C(=O)[C@H](c1ccccc1)N1CCN[C@H](C)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
OPRD1 P41143 6/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR5 P51681 3/20 0.36
SLC6A9 P48067 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
OPRM1 P35372 2/20 0.34
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
OPRK1 P41145 1/20 0.34
TAF1 P21675 1/20 0.34
CECR2 Q9BXF3 1/20 0.34

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
SCHEMBL4093033 1.00 SCN5A (0.40) SCN5ASCN9AOPRD1MEN1ALDH1A1
SCHEMBL4099362 0.84 OPRD1 (0.44) OPRD1MEN1ALDH1A1KMT2ACCR5
SCHEMBL4094064 0.84 OPRD1 (0.44) OPRD1MEN1ALDH1A1KMT2ACCR5
SCHEMBL13724564 0.83 ALDH1A1 (0.48) SCN5ASCN9AOPRD1MEN1ALDH1A1
SCHEMBL13724557 0.83 ALDH1A1 (0.48) SCN5ASCN9AOPRD1MEN1ALDH1A1
SCHEMBL4093863 0.82 SCN5A (0.42) SCN5ASCN9AOPRD1MEN1ALDH1A1
SCHEMBL4095530 0.82 SCN5A (0.42) SCN5ASCN9AOPRD1MEN1ALDH1A1
SCHEMBL14035403 0.78 LMNA (0.54) OPRD1MEN1ALDH1A1KMT2ASLC6A9
SCHEMBL4099373 0.78 LMNA (0.54) OPRD1MEN1ALDH1A1KMT2ASLC6A9
SCHEMBL4095319 0.78 LMNA (0.54) OPRD1MEN1ALDH1A1KMT2ASLC6A9

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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT SCN5A 329/4885SCN9A 3265/4885OPRD1 623/4885

“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.