SCHEMBL4280573

SCHEMBL4280573

Nc1ccc(N2CCN(C(=O)OCc3ccccc3)CC2)cc1CS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 15/20 0.46
SIGMAR1 Q99720 15/20 0.46
HRH1 P35367 4/20 0.46
HRH3 Q9Y5N1 4/20 0.46
HTR1A P08908 3/20 0.46
HRH2 P25021 3/20 0.46
ADRA2C P18825 2/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
DRD1 P21728 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1E P28566 1/20 0.46
SLC6A4 P31645 1/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44

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
SCHEMBL4288833 0.86 MAPT (0.44) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL3551583 0.83 ELANE (0.44) HRH1ELANECYP2C19SMN1; SMN2
SCHEMBL3550513 0.81 F2 (0.48) ELANECYP2C19SMN1; SMN2
SCHEMBL3552630 0.80 ELANE (0.43) HRH1ELANECYP2C19SMN1; SMN2
SCHEMBL4278946 0.80 HTR6 (0.56) HTR1AADRA2CHTR2AHTR2CHTR2B
SCHEMBL4284859 0.76 HTR6 (0.48) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL17164796 0.75 TMEM97 (0.59) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL29446179 0.75 TMEM97 (0.59) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL29158056 0.75 TMEM97 (0.56) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL27208439 0.75 TMEM97 (0.58) TMEM97SIGMAR1HRH1HRH3HTR1A

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 TMEM97 216/4885SIGMAR1 56/4885HRH1 158/4885

“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.