SCHEMBL12965662

SCHEMBL12965662

Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3C)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.52
POLB P06746 1/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
TNF P01375 1/20 0.48
RAB9A P51151 1/20 0.48
NOD1 Q9Y239 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 3/20 0.47
REV1 Q9UBZ9 1/20 0.46
CNR1 P21554 1/20 0.46
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 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
SCHEMBL1430644 0.93 LMNA (0.50) CNR2POLBATMALDH1A1TP53
SCHEMBL1429619 0.89 EPHX2 (0.50) CNR2POLBATMALDH1A1HTT
SCHEMBL13373156 0.86 TDP1 (0.58) CNR2POLBATMALDH1A1TP53
SCHEMBL1430495 0.85 L3MBTL1 (0.57) ALDH1A1HTTL3MBTL1LMNAKMT2A
SCHEMBL12965420 0.85 CNR2 (0.41) CNR2POLBATMALDH1A1L3MBTL1
SCHEMBL12965957 0.82 HTT (0.50) CNR2POLBATMALDH1A1TP53
SCHEMBL13373158 0.80 LMNA (0.65) ATMALDH1A1HTTLMNASMN1; SMN2
SCHEMBL13373239 0.78 EPHX2 (0.44) POLBALDH1A1TP53SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL1429437 0.77 EPHX2 (0.43) POLBALDH1A1TP53SMN1; SMN2KMT2A
SCHEMBL1429810 0.77 MEN1 (0.52) POLBALDH1A1L3MBTL1LMNASMN1; SMN2

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 162/4885POLB 4015/4885ATM 4035/4885

“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.