SCHEMBL2225505

SCHEMBL2225505

O=C(c1ccc2cccnc2c1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ SCN9A Q15858 3/20 0.51
▸ GAA P10253 3/20 0.51
▸ KMT2A Q03164 1/20 0.49
▸ GBA1 P04062 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ TRPM8 Q7Z2W7 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MGLL Q99685 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL16087252 0.93 SCN9A (0.51) ATMSMN1; SMN2SCN9AGAAKMT2A
SCHEMBL2226910 0.87 L3MBTL1 (0.58) ATMSMN1; SMN2SCN9AGAAKMT2A
Hydrochloric Acid SCHEMBL14777717 0.87 L3MBTL1 (0.57) ATMSMN1; SMN2SCN9AGAAKMT2A
SCHEMBL2226510 0.85 GHSR (0.47) SMN1; SMN2SCN9AKMT2AGBA1TRPM8
SCHEMBL2224619 0.81 SCN9A (0.55) ATMSMN1; SMN2SCN9AGAAKMT2A
SCHEMBL1947493 0.81 L3MBTL1 (0.64) ATMSMN1; SMN2SCN9AKMT2AGBA1
SCHEMBL2225737 0.81 SCN9A (0.61) ATMSMN1; SMN2SCN9AGAAKMT2A
SCHEMBL1429539 0.80 L3MBTL1 (0.72) ATMSMN1; SMN2SCN9AKMT2AL3MBTL1
SCHEMBL16087384 0.80 L3MBTL1 (0.58) ATMSMN1; SMN2SCN9AGAAKMT2A
SCHEMBL2224021 0.80 SCN9A (0.50) ATMSMN1; SMN2SCN9AGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697703-B2 Piperazine derivatives for blocking Cav2.2 calcium channels Convergence Pharmaceuticals Limited (GB) 2014-04-15 — — US claimed
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 — — EP disclosed
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 — — EP disclosed
US-8697703-B2 Piperazine derivatives for blocking Cav2.2 calcium channels Convergence Pharmaceuticals Limited (GB) 2014-04-15 — — US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 — — US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 — — US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 — — US disclosed
EP-2533782-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2012-12-19 — — EP disclosed
WO-2011086377-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-07-21 — — WO disclosed
WO-2011086377-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-07-21 — — 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-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CACNA1B, CACNB2, CACNA1C ATM 4611/4885SMN1; SMN2 561/4885SCN9A 224/4885

“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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