SCHEMBL4100180

SCHEMBL4100180

C[C@@H]1CN([C@H](C)c2cc(F)cc(F)c2)CCN1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
XIAP P98170 3/20 0.34
BIRC2 Q13490 2/20 0.34
SIGMAR1 Q99720 2/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
TACR1 P25103 1/20 0.31
CACNA2D1 P54289 3/20 0.31
OPRM1 P35372 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL4107027 1.00 HRH3 (0.38) HRH3XIAPBIRC2SIGMAR1DPP4
SCHEMBL4982738 1.00 HRH3 (0.38) HRH3XIAPBIRC2SIGMAR1DPP4
SCHEMBL4094000 0.86 HRH3 (0.35) HRH3XIAPBIRC2CACNA2D1OPRM1
SCHEMBL5133764 0.86 HRH3 (0.35) HRH3XIAPBIRC2CACNA2D1OPRM1
SCHEMBL4102926 0.86 HRH3 (0.35) HRH3XIAPBIRC2CACNA2D1OPRM1
SCHEMBL3877345 0.84 HRH3 (0.48) HRH3XIAPSIGMAR1OPRM1CYP2D6
SCHEMBL4088775 0.84 HRH3 (0.48) HRH3XIAPSIGMAR1OPRM1CYP2D6
SCHEMBL4505701 0.84 HRH3 (0.48) HRH3XIAPSIGMAR1OPRM1CYP2D6
SCHEMBL4094531 0.81 HRH3 (0.39) HRH3XIAPBIRC2SIGMAR1DPP4
SCHEMBL4093102 0.81 HRH3 (0.39) HRH3XIAPBIRC2SIGMAR1DPP4

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 HRH3 2328/4885XIAP 3112/4885BIRC2 2676/4885

“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.