SCHEMBL1946064

SCHEMBL1946064

O=C(c1cc(-c2ccccn2)ccn1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ HSD11B1 P28845 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SCN9A Q15858 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ ABL1 P00519 1/20 0.45
▸ BCR P11274 1/20 0.45
▸ TRPV4 Q9HBA0 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ GRM4 Q14833 1/20 0.45
▸ ATM Q13315 1/20 0.44

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
SCHEMBL1948243 0.88 GAA (0.60) GAASMN1; SMN2L3MBTL1HSD11B1LMNA
SCHEMBL1945685 0.88 GAA (0.77) GAASMN1; SMN2L3MBTL1HSD11B1LMNA
SCHEMBL1948321 0.83 L3MBTL1 (0.56) GAASMN1; SMN2L3MBTL1HSD11B1LMNA
SCHEMBL1945728 0.83 L3MBTL1 (0.56) GAASMN1; SMN2L3MBTL1HSD11B1LMNA
SCHEMBL2224443 0.80 ALDH1A1 (0.59) GAASMN1; SMN2L3MBTL1HSD11B1LMNA
Hydrochloric Acid SCHEMBL14777228 0.79 ALDH1A1 (0.58) GAASMN1; SMN2L3MBTL1HSD11B1LMNA
SCHEMBL1947656 0.79 GAA (0.66) GAASMN1; SMN2L3MBTL1HSD11B1LMNA
SCHEMBL754340 0.77 GAA (0.73) GAASMN1; SMN2L3MBTL1HSD11B1LMNA
SCHEMBL1949051 0.75 L3MBTL1 (0.64) GAAL3MBTL1HSD11B1LMNAHTT
SCHEMBL1429869 0.75 KMT2A (0.58) GAASMN1; SMN2L3MBTL1HSD11B1LMNA

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 11 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
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
EP-2346828-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 — — EP disclosed
EP-2346828-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-07-27 — — 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
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
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 GAA 3695/4885SMN1; SMN2 898/4885L3MBTL1 4629/4885

“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.

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