SCHEMBL4094229

SCHEMBL4094229

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.55
OPRM1 P35372 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
OPRD1 P41143 3/20 0.50
LMNA P02545 1/20 0.48
OPRK1 P41145 1/20 0.47
GRIN2B Q13224 1/20 0.47

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
SCHEMBL4102848 1.00 KDM4E (0.56) KDM4EGAAOPRM1MEN1KMT2A
SCHEMBL468968 0.79 MAPK14 (0.39) KMT2A
SCHEMBL468967 0.79 MAPK14 (0.39) KMT2A
SCHEMBL2797036 0.78 GAA (0.65) KDM4EGAAOPRM1MEN1KMT2A
SCHEMBL14035360 0.78 GAA (0.65) KDM4EGAAOPRM1MEN1KMT2A
SCHEMBL14035242 0.78 GAA (0.65) KDM4EGAAOPRM1MEN1KMT2A
SCHEMBL13559369 0.77 MAPK14 (0.46) KMT2A
SCHEMBL436957 0.77 MAPK14 (0.38) KMT2A
SCHEMBL13559364 0.77 MAPK14 (0.46) KMT2A
SCHEMBL436908 0.77 MAPK14 (0.38) KMT2A

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 KDM4E 3298/4885GAA 831/4885OPRM1 1016/4885

“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.