SCHEMBL4278784

SCHEMBL4278784

O=S(=O)(c1cccc(OC(F)F)c1)N(C1CCNCC1)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.45
RORC P51449 1/20 0.41
HTR6 P50406 4/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
KDM2B Q8NHM5 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
DRD2 P14416 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 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
SCHEMBL3485433 0.79 HTR2C (0.50) CACNA1BHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL3485825 0.77 CACNA1B (0.55) CACNA1B
SCHEMBL3486045 0.77 HTR2C (0.51) CACNA1BHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL3485485 0.77 HTR2C (0.50) HTR6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL532533 0.75 KDM4E (0.46) HTR6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4279499 0.72 CACNA1B (0.47) CACNA1BRORC
SCHEMBL4277650 0.72 CACNA1B (0.47) CACNA1BRORC
SCHEMBL3561054 0.70 HTR2C (0.46) HTR6SLC6A2SLC6A4SLC6A3
SCHEMBL617654 0.68 HTR6 (0.66) HTR6SLC6A4DRD2
SCHEMBL1134333 0.68 TSHR (0.47) HTR6KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000174-B2 4-phenylsulfonamidopiperidines as calcium channel blockers PURDUE PHARMA L.P. (US) 2015-04-07 US disclosed
EP-1814851-B1 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO CELTIQUE SA (LU) 2013-06-05 EP disclosed
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers EURO-CELTIQUE S.A. (LU) 2009-04-23 US disclosed
EP-1814851-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-08 EP disclosed
WO-2006040181-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2006-04-20 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-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers CACNA1A, CACNA1E, CACNA1B CACNA1B 3/4885RORC 3919/4885HTR6 827/4885

“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.