SCHEMBL1248638

SCHEMBL1248638

C[C@@H]1CN(c2cccc3c2ncn3S(=O)(=O)c2ccccc2Cl)CCN1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.49
P2RX7 Q99572 2/20 0.42
HTR2C P28335 2/20 0.42
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR7 P34969 1/20 0.40
MET P08581 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSD11B1 P28845 1/20 0.38
HTR2A P28223 1/20 0.37
DRD3 P35462 1/20 0.37
KMT2A Q03164 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
SCHEMBL1249595 1.00 HTR6 (0.49) HTR6P2RX7HTR2CHTR1ADRD2
SCHEMBL1250098 1.00 HTR6 (0.49) HTR6P2RX7HTR2CHTR1ADRD2
SCHEMBL1249536 0.92 HTR6 (0.41) HTR6HTR2CHTR1ADRD2HTR7
SCHEMBL1249558 0.92 HTR6 (0.41) HTR6HTR2CHTR1ADRD2HTR7
SCHEMBL1249792 0.92 HTR6 (0.41) HTR6HTR2CHTR1ADRD2HTR7
SCHEMBL1249631 0.89 HTR6 (0.46) HTR6P2RX7HTR2CHTR1ADRD2
SCHEMBL1250134 0.87 CYP3A4 (0.46) HTR6DRD2HTR7HTR2ADRD3
SCHEMBL1249746 0.87 CYP3A4 (0.46) HTR6DRD2HTR7HTR2ADRD3
SCHEMBL1249584 0.87 CYP3A4 (0.46) HTR6DRD2HTR7HTR2ADRD3
SCHEMBL1247256 0.87 HTR6 (0.45) HTR6HTR2CALDH1A1

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 1/4885P2RX7 260/4885HTR2C 5/4885

“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.