SCHEMBL6962263

SCHEMBL6962263

O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
HTT P42858 1/20 0.72
MAPT P10636 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
LMNA P02545 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
TRPA1 O75762 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
FKBP1A P62942 1/20 0.58
TSHR P16473 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL15648472 1.00 ALDH1A1 (0.72) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL893543 0.95 ALDH1A1 (0.66) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL893545 0.95 ALDH1A1 (0.66) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL16635434 0.91 ALDH1A1 (0.59) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL15832928 0.91 ALDH1A1 (0.59) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL6954687 0.88 MAPT (0.59) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL8150933 0.88 MAPT (0.59) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL2977278 0.88 ALDH1A1 (0.72) ALDH1A1HTTMAPTLMNASMN1; SMN2
SCHEMBL1385016 0.88 ALDH1A1 (0.72) ALDH1A1HTTMAPTLMNASMN1; SMN2
SCHEMBL3717708 0.87 ALDH1A1 (0.71) ALDH1A1HTTMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388166-B2 6-aminoindole derivatives as TRP channel antagonists HOFFMAN-LA ROCHE INC. (US) 2016-07-12 US disclosed
US-20150284375-A1 HETEROCYCLIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME AJINOMOTO CO., INC. (JP) 2015-10-08 US disclosed
EP-2909172-A1 6-AMINOINDOLE DERIVATIVES AS TRP CHANNEL ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2015-08-26 EP disclosed
US-20150218133-A1 6-AMINOINDOLE DERIVATIVES AS TRP CHANNEL ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 2015-08-06 US disclosed
WO-2014098098-A1 HETEROCYCLIC AMIDE DERIVATIVE, AND MEDICINE CONTAINING SAME 味の素株式会社 (JP) 2014-06-26 WO disclosed
WO-2014060328-A1 6-AMINOINDOLE DERIVATIVES AS TRP CHANNEL ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 WO disclosed
EP-1060178-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER (US) 2003-09-03 EP disclosed
US-6610707-B1 Moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases and nerve damage. PFIZER INC. 2003-08-26 US disclosed
EP-1060178-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 2000-12-20 EP disclosed
WO-1999045006-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 1999-09-10 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 (2 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-20150284375-A1 HETEROCYCLIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME TRPA1, TRPV1, TRPV2 ALDH1A1 619/4885HTT 617/4885MAPT 1391/4885
US-20150218133-A1 6-AMINOINDOLE DERIVATIVES AS TRP CHANNEL ANTAGONISTS TRPC6, TRPC5, HTR6 ALDH1A1 952/4885HTT 765/4885MAPT 1173/4885

“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.