SCHEMBL13724905

SCHEMBL13724905

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
SLC6A4 P31645 6/20 0.37
SLC6A2 P23975 5/20 0.36
SLC6A3 Q01959 2/20 0.35
OPRD1 P41143 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA2D1 P54289 5/20 0.34
OPRM1 P35372 1/20 0.33

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
SCHEMBL13724566 1.00 MC4R (0.39) MC4RHRH3SLC6A4SLC6A2SLC6A3
SCHEMBL14035294 0.84 SLC6A4 (0.52) MC4RSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4099473 0.84 SLC6A4 (0.43) MC4RHRH3SLC6A4SLC6A2SLC6A3
SCHEMBL4103236 0.84 SLC6A4 (0.43) MC4RHRH3SLC6A4SLC6A2SLC6A3
SCHEMBL4093033 0.76 SCN5A (0.40) HRH3OPRD1OPRM1
SCHEMBL4095513 0.76 SCN5A (0.40) HRH3OPRD1OPRM1
SCHEMBL13750181 0.76 HRH3 (0.47) HRH3SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4099505 0.76 OPRL1 (0.47) HRH3SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL13749435 0.76 HRH3 (0.47) HRH3SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4099664 0.76 OPRL1 (0.47) HRH3SLC6A4SLC6A2SLC6A3KCNH2

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
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT MC4R 4200/4885HRH3 2328/4885SLC6A4 3834/4885

“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.