SCHEMBL1136451

SCHEMBL1136451

O=S(=O)(c1ccccc1)c1ccc2c(c1)OCCN2C1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.57
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CHRM2 P08172 2/20 0.41
PKM P14618 3/20 0.40
PKLR P30613 1/20 0.40
WNT3 P56703 1/20 0.40
SFRP1 Q8N474 1/20 0.40
CHRM1 P11229 1/20 0.39
TSHR P16473 1/20 0.39
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
PNMT P11086 1/20 0.38

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
Hydrochloric Acid SCHEMBL2904689 0.99 HTR6 (0.56) HTR6HTR2CHTR2BCHRM2PKM
SCHEMBL2906529 0.93 HTR6 (0.53) HTR6HTR2CHTR2BCHRM2PKM
SCHEMBL1136556 0.93 HTR6 (0.53) HTR6HTR2CHTR2BCHRM2PKM
SCHEMBL2898259 0.93 HTR6 (0.53) HTR6HTR2CHTR2BCHRM2PKM
Hydrochloric Acid SCHEMBL2923931 0.92 HTR6 (0.52) HTR6CHRM2PKMPKLR
SCHEMBL1136530 0.91 HTR6 (0.54) HTR6HTR2CHTR2BCHRM2PKM
SCHEMBL14191711 0.88 HTR6 (0.51) HTR6HTR2CHTR2BCHRM2PKM
SCHEMBL27679961 0.84 HTR6 (0.45) HTR6CHRM2PKMPKLR
SCHEMBL20727281 0.83 HTR6 (0.49) HTR6PKMPKLRWNT3SFRP1
Hydrochloric Acid SCHEMBL21955534 0.82 HTR6 (0.48) HTR6PKMWNT3SFRP1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301625-A2 Compositions and methods for treating cognitive disorders F. Hoffmann-La Roche AG (CH) 2011-03-30 EP claimed
EP-1797051-B1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed
US-7378415-B2 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-05-27 US claimed
EP-1799306-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-06-27 EP claimed
EP-1797051-A1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES F. Hoffmann-Roche AG (CH) 2007-06-20 EP claimed
WO-2006037481-A1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES F.HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO claimed
WO-2006037482-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO claimed
US-20060069094-A1 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC 2006-03-30 US claimed
US-10973831-B2 Fluoropiperidine compounds as pure 5-HT 6 receptor antagonists SUVEN LIFE SCIENCES LIMITED (IN) 2021-04-13 US disclosed
EP-3649124-B1 FLUOROPIPERIDINE COMPOUNDS AS PURE 5-HT6 RECEPTOR ANTAGONISTS SUVEN LIFE SCIENCES LTD (IN) 2021-03-03 EP disclosed
US-20200155560-A1 FLUOROPIPERIDINE COMPOUNDS AS PURE 5-HT 6 RECEPTOR ANTAGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2020-05-21 US disclosed
EP-2301625-A2 Compositions and methods for treating cognitive disorders F. Hoffmann-La Roche AG (CH) 2011-03-30 EP disclosed
EP-1799306-B1 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2011-02-23 EP disclosed
EP-1797051-B1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
EP-1799306-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-06-27 EP disclosed
EP-1797051-A1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
US-20060106012-A1 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC 2006-05-18 US disclosed
WO-2006037481-A1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES F.HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO disclosed
WO-2006037482-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO disclosed
US-20060069094-A1 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC 2006-03-30 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 (4 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-20200155560-A1 FLUOROPIPERIDINE COMPOUNDS AS PURE 5-HT 6 RECEPTOR ANTAGONISTS HTR6, HTR5A, HTR1B HTR6 1/4885HTR2C 8/4885HTR2B 16/4885
US-20060069094-A1 Compositions and methods for treating cognitive disorders HTR6, HTR2A, HTR2C HTR6 1/4885HTR2C 3/4885HTR2B 10/4885
US-10973831-B2 Fluoropiperidine compounds as pure 5-HT 6 receptor antagonists HTR6, HTR5A, HTR1B HTR6 1/4885HTR2C 8/4885HTR2B 16/4885
US-20060106012-A1 Benzoxazine and quinoxaline derivatives and uses thereof XDH, PDHX, HAX1 HTR6 1421/4885HTR2C 1130/4885HTR2B 1318/4885

“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.