SCHEMBL11940887

SCHEMBL11940887

Cc1ccc(N2CCOCC2)cc1C1CC(C)(C)c2cc(C(=O)NS(=O)(=O)C3CC3)ccc2N1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.40
CNR2 P34972 7/20 0.40
SCN9A Q15858 9/20 0.39
SCN5A Q14524 6/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
MTOR P42345 1/20 0.36
SCN2B O60939 2/20 0.36
SCN1B Q07699 2/20 0.36
SCN1A P35498 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36

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
SCHEMBL11025665 0.92 MAPT (0.39) CNR1CNR2MEN1ALDH1A1GAA
SCHEMBL11940888 0.91 SCN9A (0.39) SCN9ASCN5AMEN1GAAMAPT
SCHEMBL11940900 0.91 SCN9A (0.38) CNR1CNR2SCN9ASCN5AMAPT
SCHEMBL11940890 0.88 SCN9A (0.37) CNR1CNR2SCN9ASCN5ASCN2B
SCHEMBL11940880 0.86 CYP2C19 (0.40) SCN9ASCN5AMAPTMTORSCN2B
SCHEMBL11025981 0.85 KMO (0.43) CNR1CNR2MEN1ALDH1A1GAA
SCHEMBL11028020 0.85 PRKAG1 (0.40) CNR1CNR2MEN1ALDH1A1GAA
SCHEMBL11940877 0.83 SCN9A (0.39) SCN9ASCN5AMAPTMTORSCN2B
SCHEMBL11940904 0.83 SCN9A (0.40) SCN9ASCN5AMAPTSCN2BSCN1B
SCHEMBL11025840 0.83 EPHX2 (0.42) SCN9AMEN1ALDH1A1GAAMAPT

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-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO disclosed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 US disclosed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 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-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES RAB1A, RABL3, RAB7A CNR1 72/4885CNR2 375/4885SCN9A 1420/4885

“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.