SCHEMBL1348525

SCHEMBL1348525

COc1cc(Cl)ccc1C(=O)NC(c1ccccc1)C1(N2CCCC2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
F10 P00742 1/20 0.40
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
MTTP P55157 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL1349461 0.87 SLC6A9 (0.43) SLC6A9MEN1KMT2AGPR27F10
SCHEMBL1350574 0.87 MEN1 (0.50) SLC6A9ALDH1A1MEN1KMT2AFLT1
SCHEMBL1349364 0.86 SLC6A9 (0.53) SLC6A9ALDH1A1HPGDAVPR2GPR27
SCHEMBL1350491 0.82 SLC6A9 (0.48) SLC6A9MEN1KMT2A
SCHEMBL1349997 0.82 SLC6A9 (0.39) SLC6A9HPGDMEN1KMT2A
SCHEMBL3237145 0.81 AVPR2 (0.43) SLC6A9ALDH1A1HPGDMEN1KMT2A
SCHEMBL3264199 0.80 SLC6A9 (0.47) SLC6A9AVPR2GPR27MTTP
SCHEMBL3234727 0.79 SLC6A9 (0.56) SLC6A9ALDH1A1HPGDKMT2A
SCHEMBL3261922 0.78 SLC6A9 (0.44) SLC6A9ALDH1A1MEN1KMT2AMTTP
SCHEMBL1349871 0.77 SLC6A9 (0.42) SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US claimed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 US claimed
US-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 US disclosed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 US disclosed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 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-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS GLRA1, GLRA2, GRIA1 SLC6A9 20/4885ALDH1A1 1116/4885HPGD 2184/4885

“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.