SCHEMBL1350574

SCHEMBL1350574

O=C(NC(c1ccccc1)C1(N2CCCC2)CCC1)c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.47
SLC6A9 P48067 7/20 0.46
ATM Q13315 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
SLC6A12 P48065 1/20 0.42
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41
P2RX7 Q99572 1/20 0.41
GAA P10253 1/20 0.40

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 0.89 SLC6A9 (0.43) MEN1KMT2ASLC6A9CNR1CNR2
SCHEMBL3261922 0.88 SLC6A9 (0.44) MEN1KMT2AALDH1A1SLC6A9P2RX7
SCHEMBL7938683 0.87 MEN1 (0.39) MEN1KMT2AALDH1A1SLC6A9ATM
SCHEMBL1348525 0.87 SLC6A9 (0.45) MEN1KMT2AALDH1A1SLC6A9FLT1
SCHEMBL1350491 0.87 SLC6A9 (0.48) MEN1KMT2ASLC6A9
SCHEMBL1349997 0.86 SLC6A9 (0.39) MEN1KMT2ASLC6A9SLC6A12
SCHEMBL3237489 0.84 SLC6A9 (0.50) ALDH1A1SLC6A9CNR1CNR2
SCHEMBL4355395 0.83 SLC6A9 (0.44) KMT2AALDH1A1SLC6A9ATM
SCHEMBL3238488 0.80 SLC6A9 (0.60) SLC6A9
SCHEMBL3239959 0.80 SLC6A9 (0.52) KMT2AALDH1A1SLC6A9

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 MEN1 1701/4885KMT2A 2030/4885ALDH1A1 1116/4885

“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.