SCHEMBL1349999

SCHEMBL1349999

O=C(NC(c1ccccc1)C1(N2CCCC2)CCC1)c1ccc(C(F)(F)F)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.50
KLRK1 P26718 2/20 0.42
MICA Q29983 2/20 0.42
RAET1L Q5VY80 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41
PTGER4 P35408 1/20 0.39
MTTP P55157 2/20 0.38
ENPP2 Q13822 1/20 0.37

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
SCHEMBL1350222 0.89 SLC6A9 (0.49) SLC6A9KLRK1MICARAET1LGPR27
SCHEMBL1348590 0.89 SLC6A9 (0.49) SLC6A9KLRK1MICARAET1LAVPR2
SCHEMBL1348399 0.89 SLC6A9 (0.50) SLC6A9KLRK1MICARAET1LMTTP
SCHEMBL1350744 0.87 KLRK1 (0.50) SLC6A9KLRK1MICARAET1LMTTP
SCHEMBL3241393 0.87 SLC6A9 (0.49) SLC6A9KLRK1MICARAET1LAVPR2
SCHEMBL1349648 0.87 SLC6A9 (0.44) SLC6A9KLRK1MICARAET1LENPP2
SCHEMBL1349947 0.87 KLRK1 (0.41) SLC6A9KLRK1MICARAET1LMTTP
SCHEMBL1347772 0.86 SLC6A9 (0.53) SLC6A9KLRK1MICARAET1LMTTP
SCHEMBL1349364 0.86 SLC6A9 (0.53) SLC6A9KLRK1MICARAET1LAVPR2
SCHEMBL3234829 0.85 SLC6A9 (0.49) SLC6A9KLRK1MICARAET1LAVPR2

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 9 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
WO-2010020548-A1 GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-25 WO 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 20/4885KLRK1 1606/4885MICA 2450/4885

“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.