SCHEMBL3485433

SCHEMBL3485433

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.50
HTR2A P28223 1/20 0.50
HTR2B P41595 1/20 0.47
HTR6 P50406 10/20 0.46
CACNA1B Q00975 4/20 0.43
NR1I2 O75469 1/20 0.43
CYP3A4 P08684 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNA5 P22460 1/20 0.41
SLC6A4 P31645 1/20 0.40

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
SCHEMBL3485825 0.83 CACNA1B (0.55) HTR2CCACNA1BNR1I2CYP3A4
SCHEMBL3485485 0.83 HTR2C (0.50) HTR2CHTR2AHTR2BHTR6CYP3A4
SCHEMBL3486045 0.83 HTR2C (0.51) HTR2CHTR2AHTR6CACNA1BSLC6A2
SCHEMBL3561054 0.82 HTR2C (0.46) HTR2CHTR2AHTR2BHTR6SLC6A2
SCHEMBL532533 0.82 KDM4E (0.46) HTR2CHTR2AHTR6SLC6A2SLC6A3
SCHEMBL4278784 0.79 CACNA1B (0.45) HTR6CACNA1BSLC6A2SLC6A3SLC6A4
SCHEMBL12184749 0.76 HTR2C (0.51) HTR2CHTR2AHTR2BHTR6
Hydrochloric Acid SCHEMBL20524629 0.75 HTR2C (0.50) HTR2CHTR2AHTR2BHTR6
SCHEMBL231306 0.73 HTR2A (0.46) HTR2CHTR2AHTR6CYP3A4SLC6A2
SCHEMBL17942305 0.72 HTR6 (0.50) HTR2CHTR2AHTR2BHTR6CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 US disclosed
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 US disclosed
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 US disclosed
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 US disclosed
WO-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 WO disclosed
WO-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 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-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels CACNA1A, CACNA1E, CACNA1B HTR2C 431/4885HTR2A 499/4885HTR2B 342/4885

“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.