SCHEMBL1947614

SCHEMBL1947614

Cc1cccnc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.52
TRPV1 Q8NER1 1/20 0.43
CYP3A4 P08684 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL1945698 1.00 HSD11B1 (0.52) HSD11B1TRPV1CYP3A4KCNH2
SCHEMBL12539839 0.89 HSD11B1 (0.45) HSD11B1CYP3A4
SCHEMBL12539739 0.89 HSD11B1 (0.45) HSD11B1CYP3A4
SCHEMBL12965667 0.87 HSD11B1 (0.53) HSD11B1CYP3A4KCNH2
SCHEMBL12965958 0.87 HSD11B1 (0.53) HSD11B1CYP3A4KCNH2
Formic Acid SCHEMBL1430011 0.84 HSD11B1 (0.50) HSD11B1CYP3A4KCNH2
Formic Acid SCHEMBL1429775 0.84 HSD11B1 (0.50) HSD11B1CYP3A4KCNH2
SCHEMBL1945700 0.84 HSD11B1 (0.55) HSD11B1TRPV1
SCHEMBL7997766 0.83 HSD11B1 (0.48) HSD11B1TRPV1
Hydrochloric Acid SCHEMBL1947130 0.82 HSD11B1 (0.47) HSD11B1TRPV1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530478-B2 Piperazine derivatives used as CAV2.2 calcium channel modulators Convergence Pharmaceuticals Limited (GB) 2013-09-10 US disclosed
US-8530478-B2 Piperazine derivatives used as CAV2.2 calcium channel modulators Convergence Pharmaceuticals Limited (GB) 2013-09-10 US disclosed
EP-2346828-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-06-02 US disclosed
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-06-02 US disclosed
WO-2010007072-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 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-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CACNA1B, CACNA1C, CACNB2 HSD11B1 4820/4885TRPV1 38/4885CYP3A4 3709/4885

“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.