SCHEMBL4093973

SCHEMBL4093973

C[C@@H]1CN([C@H](c2ccccc2)C(C)(C)O)CCN1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.44
KCNA5 P22460 2/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PRCP P42785 1/20 0.36
OPRL1 P41146 3/20 0.35
OPRM1 P35372 2/20 0.35
OPRK1 P41145 1/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL4088960 1.00 OPRD1 (0.44) OPRD1KCNA5KCNH2HRH3MEN1
SCHEMBL4975855 1.00 OPRD1 (0.44) OPRD1KCNA5KCNH2HRH3MEN1
SCHEMBL4094666 0.84 HRH3 (0.42) OPRD1KCNA5KCNH2HRH3MEN1
SCHEMBL4099833 0.84 HRH3 (0.42) OPRD1KCNA5KCNH2HRH3MEN1
SCHEMBL2537196 0.79 MEN1 (0.58) OPRD1KCNH2HRH3MEN1KMT2A
SCHEMBL2315253 0.79 MEN1 (0.58) OPRD1KCNH2HRH3MEN1KMT2A
SCHEMBL4146000 0.79 MEN1 (0.58) OPRD1KCNH2HRH3MEN1KMT2A
SCHEMBL4096152 0.77 CYP2D6 (0.56) OPRD1HRH3MEN1KMT2AOPRL1
SCHEMBL4099767 0.77 CYP2D6 (0.56) OPRD1HRH3MEN1KMT2AOPRL1
SCHEMBL13724342 0.77 CYP2D6 (0.56) OPRD1HRH3MEN1KMT2AOPRL1

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 4 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
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 OPRD1 623/4885KCNA5 1703/4885KCNH2 2039/4885

“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.