SCHEMBL4094666

SCHEMBL4094666

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A4 P31645 5/20 0.36
SLC6A2 P23975 3/20 0.36
OPRD1 P41143 1/20 0.36
SIGMAR1 Q99720 3/20 0.36
KCNH2 Q12809 2/20 0.36
KCNA5 P22460 1/20 0.36
CYP2D6 P10635 2/20 0.35
SLC6A9 P48067 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
SCHEMBL4099833 1.00 HRH3 (0.42) HRH3MEN1KMT2ASLC6A4SLC6A2
SCHEMBL13723937 0.87 HRH3 (0.46) HRH3SLC6A4SLC6A2SIGMAR1KCNH2
SCHEMBL13723347 0.87 HRH3 (0.46) HRH3SLC6A4SLC6A2SIGMAR1KCNH2
SCHEMBL4975855 0.84 OPRD1 (0.44) HRH3MEN1KMT2ASLC6A4SLC6A2
SCHEMBL4088960 0.84 OPRD1 (0.44) HRH3MEN1KMT2ASLC6A4SLC6A2
SCHEMBL4093973 0.84 OPRD1 (0.44) HRH3MEN1KMT2ASLC6A4SLC6A2
SCHEMBL27664992 0.80 HRH3 (0.44) HRH3MEN1KMT2ASLC6A4SLC6A2
SCHEMBL2315253 0.80 MEN1 (0.58) HRH3MEN1KMT2AOPRD1KCNH2
SCHEMBL2537196 0.80 MEN1 (0.58) HRH3MEN1KMT2AOPRD1KCNH2
SCHEMBL4146000 0.80 MEN1 (0.58) HRH3MEN1KMT2AOPRD1KCNH2

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 2 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

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 HRH3 2328/4885MEN1 4695/4885KMT2A 3485/4885

“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.