SCHEMBL12965420

SCHEMBL12965420

Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3C)C[C@@H]2C)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.39
SMO Q99835 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
IDH1 O75874 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37

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
SCHEMBL13373239 0.94 EPHX2 (0.44) KMT2ASMOGAAALDH1A1MAPT
Hydrochloric Acid SCHEMBL1429437 0.93 EPHX2 (0.43) KMT2ASMOGAAALDH1A1MAPT
SCHEMBL1429767 0.90 EPHX2 (0.46) CNR2KMT2ASMOALDH1A1MAPT
SCHEMBL13373120 0.88 TDP1 (0.50) CNR2L3MBTL1KMT2ANPSR1GAA
SCHEMBL12965681 0.87 ALDH1A1 (0.45) KMT2ASMOGAAALDH1A1MAPT
SCHEMBL1429692 0.87 ALDH1A1 (0.45) KMT2ASMOGAAALDH1A1MAPT
SCHEMBL12965662 0.85 CNR2 (0.52) CNR2L3MBTL1KMT2AALDH1A1POLB
SCHEMBL12965697 0.84 IDH1 (0.40) L3MBTL1SMOIDH1ALDH1A1MAPT
Formic Acid SCHEMBL1429563 0.84 ALDH1A1 (0.42) KMT2ASMONPSR1GAAALDH1A1
SCHEMBL2831496 0.82 IDH1 (0.44) CNR2L3MBTL1KMT2AGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 US disclosed
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 US disclosed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
WO-2010007073-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-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 CNR2 162/4885L3MBTL1 4373/4885KMT2A 2387/4885

“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.