SCHEMBL4284859

SCHEMBL4284859

O=C(OCc1ccccc1)N1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.48
HTR2B P41595 9/20 0.48
DRD2 P14416 4/20 0.48
HTR2C P28335 3/20 0.48
HTR7 P34969 2/20 0.47
HTR1A P08908 4/20 0.45
FLT3 P36888 1/20 0.44
HTR1B P28222 3/20 0.43
HTR1D P28221 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
HRH2 P25021 1/20 0.43
HTR2A P28223 1/20 0.43
HTR1E P28566 1/20 0.43
SLC6A4 P31645 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL4279205 0.85 HTR6 (0.51) HTR6HTR2BDRD2HTR2CHTR7
SCHEMBL3553838 0.85 GRIN2B (0.42) FLT3
SCHEMBL3556683 0.83 F2 (0.44) HTR6FLT3
SCHEMBL3956150 0.83 HTR6 (0.54) HTR6HTR2BDRD2HTR2CHTR7
SCHEMBL3554745 0.82 USP30 (0.41) HTR6HTR2BDRD2HTR1AFLT3
SCHEMBL14037408 0.81 HTR6 (0.57) HTR6HTR2BDRD2HTR2CHTR7
SCHEMBL3324432 0.80 HTR6 (0.70) HTR6HTR2BDRD2HTR2CHTR7
SCHEMBL3078215 0.79 HTR6 (0.69) HTR6HTR2BDRD2HTR2CHTR7
SCHEMBL3951219 0.79 HTR6 (0.49) HTR6HTR2BDRD2HTR2CHTR7
Hydrochloric Acid SCHEMBL4280723 0.78 HTR6 (0.68) HTR6HTR2BDRD2HTR2CHTR7

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-20090318470-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-12-24 US disclosed
US-20090318470-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-12-24 US disclosed
US-20090318470-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-12-24 US disclosed
WO-2009155399-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-12-23 WO disclosed
WO-2009155399-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-12-23 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-20090318470-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, TPH1, HTR2C HTR6 1/4885HTR2B 17/4885DRD2 113/4885

“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.