SCHEMBL6920916

SCHEMBL6920916

O=C(COc1ccc(Cl)cc1)NC1=CCC([C@@H]2CCCNC2)C=C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 7/20 0.43
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SENP2 Q9HC62 1/20 0.39
SENP1 Q9P0U3 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6919793 0.79 SLC6A3 (0.45)
SCHEMBL1992342 0.72 MEN1 (0.56) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1992338 0.72 MEN1 (0.56) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6920414 0.72 SLC6A3 (0.44)
Hydrochloric Acid SCHEMBL1992254 0.72 MEN1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL1992256 0.72 MEN1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6920410 0.71 NPC1 (0.38) ALDH1A1NPC1RAB9A
SCHEMBL6919817 0.71 NPC1 (0.39) MEN1KMT2ANPC1RAB9A
SCHEMBL6920622 0.71 TAS1R3 (0.39)
SCHEMBL6920922 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ATF4 610/4885NPSR1 4/4885ALDH1A1 440/4885

“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.