SCHEMBL1947493

SCHEMBL1947493

O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.64
▸ ATM Q13315 1/20 0.61
▸ SCN9A Q15858 1/20 0.56
▸ EPHX2 P34913 2/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ LMNA P02545 1/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ EPHX1 P07099 1/20 0.48

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
SCHEMBL1429539 0.88 L3MBTL1 (0.72) L3MBTL1ATMSCN9AEPHX2KMT2A
SCHEMBL1945511 0.85 L3MBTL1 (0.81) L3MBTL1ATMKMT2ALMNAMAPT
SCHEMBL1429882 0.82 KMT2A (0.56) L3MBTL1SCN9AEPHX2KMT2ALMNA
SCHEMBL12761129 0.82 L3MBTL1 (0.75) L3MBTL1ATMKMT2ALMNASMN1; SMN2
SCHEMBL1945534 0.82 GAA (0.72) L3MBTL1SCN9AEPHX2KMT2ALMNA
SCHEMBL1429654 0.82 HDAC3 (0.50) L3MBTL1SCN9AKMT2ALMNAHDAC3
SCHEMBL18711920 0.81 MEN1 (0.55) SCN9AEPHX2KMT2AHDAC3HDAC4
SCHEMBL1429373 0.81 KMT2A (0.52) L3MBTL1SCN9AKMT2ALMNAHDAC3
SCHEMBL16087252 0.81 SCN9A (0.51) L3MBTL1ATMSCN9AKMT2ALMNA
SCHEMBL2225505 0.81 ATM (0.53) L3MBTL1ATMSCN9AKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346828-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 — — EP claimed
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-06-02 — — US claimed
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-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
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 L3MBTL1 4629/4885ATM 4320/4885SCN9A 253/4885

“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.

Send feedback