SCHEMBL1249572

SCHEMBL1249572

Cc1nc2c(N3CCNC(C)C3)cccc2n1S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.56
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 1/20 0.46
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCI P41743 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCZ Q05513 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKD1 Q15139 1/20 0.46
GHSR Q92847 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 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
SCHEMBL1248583 1.00 HTR6 (0.56) HTR6CYP3A4CYP2D6NFKB1PRKD3
SCHEMBL1249768 1.00 HTR6 (0.56) HTR6CYP3A4CYP2D6NFKB1PRKD3
SCHEMBL1247286 0.90 HTR6 (0.51) HTR6CYP3A4CYP2D6NFKB1PRKD3
SCHEMBL1250119 0.90 HTR6 (0.51) HTR6CYP3A4CYP2D6NFKB1PRKD3
SCHEMBL1249154 0.89 HTR6 (0.51) HTR6CYP3A4CYP2D6NFKB1PRKD3
SCHEMBL1248665 0.89 HTR6 (0.56) HTR6CYP3A4CYP2D6NFKB1PRKD3
SCHEMBL1247188 0.87 HTR6 (0.73) HTR6CYP2D6NFKB1TSHRDRD2
SCHEMBL1250178 0.86 HTR6 (0.75) HTR6DRD2HTR1AHTR7HTR2A
SCHEMBL1250150 0.86 HTR6 (0.75) HTR6DRD2HTR1AHTR7HTR2A
SCHEMBL1249968 0.86 HTR6 (0.75) HTR6DRD2HTR1AHTR7HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285784-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth LLC (US) 2011-02-23 EP claimed
WO-2010056644-A1 1- (ARYLSULFONYL) -4- (PI PERAZIN-I -YL) -IH-BENZ IMIDAZOLES AS δ-HYDROXYTRYPTAMINE- 6 LIGANDS WYETH LLC (US) 2010-05-20 WO claimed
US-20100120779-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2010-05-13 US claimed
US-8063053-B2 1-(arylsulfonyl)-4-(piperazin-1-yl)-1H-benzimidazoles as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2011-11-22 US disclosed
US-8063053-B2 1-(arylsulfonyl)-4-(piperazin-1-yl)-1H-benzimidazoles as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2011-11-22 US disclosed
US-8063053-B2 1-(arylsulfonyl)-4-(piperazin-1-yl)-1H-benzimidazoles as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2011-11-22 US disclosed
EP-2285784-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth LLC (US) 2011-02-23 EP disclosed
WO-2010056644-A1 1- (ARYLSULFONYL) -4- (PI PERAZIN-I -YL) -IH-BENZ IMIDAZOLES AS δ-HYDROXYTRYPTAMINE- 6 LIGANDS WYETH LLC (US) 2010-05-20 WO disclosed
US-20100120779-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2010-05-13 US disclosed
US-20100120779-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2010-05-13 US disclosed
US-20100120779-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2010-05-13 US 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-20100120779-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, TPH1, HTR4 HTR6 1/4885CYP3A4 225/4885CYP2D6 67/4885

“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.