SCHEMBL2906529

SCHEMBL2906529

O=S(=O)(c1ccccc1)c1ccc2c(c1)OCCN2[C@@H]1CCNC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.53
CHRM2 P08172 2/20 0.40
PKM P14618 1/20 0.39
PKLR P30613 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CHRM1 P11229 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
SCHEMBL1136556 1.00 HTR6 (0.53) HTR6CHRM2PKMPKLRHTR2C
SCHEMBL2898259 1.00 HTR6 (0.53) HTR6CHRM2PKMPKLRHTR2C
Hydrochloric Acid SCHEMBL2923931 0.99 HTR6 (0.52) HTR6CHRM2PKMPKLR
SCHEMBL1136451 0.93 HTR6 (0.57) HTR6CHRM2PKMPKLRHTR2C
Hydrochloric Acid SCHEMBL2904689 0.92 HTR6 (0.56) HTR6CHRM2PKMPKLRHTR2C
SCHEMBL14191711 0.91 HTR6 (0.51) HTR6CHRM2PKMPKLRHTR2C
SCHEMBL20727281 0.85 HTR6 (0.49) HTR6PKMPKLR
Hydrochloric Acid SCHEMBL21955534 0.85 HTR6 (0.48) HTR6PKM
SCHEMBL1136530 0.84 HTR6 (0.54) HTR6CHRM2PKMPKLRHTR2C
Hypochlorous Acid SCHEMBL23035191 0.83 HTR6 (0.47) HTR6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378415-B2 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-05-27 US claimed
EP-1797051-B1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
EP-1797051-B1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7378415-B2 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-05-27 US disclosed
US-7378415-B2 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-05-27 US disclosed
US-7378415-B2 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-05-27 US disclosed
US-20060106012-A1 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC 2006-05-18 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-20060106012-A1 Benzoxazine and quinoxaline derivatives and uses thereof XDH, PDHX, HAX1 HTR6 1421/4885CHRM2 142/4885PKM 108/4885

“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.