SCHEMBL2834867

SCHEMBL2834867

N#CC(N)c1ccc(Cl)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.40
S1PR3 Q99500 14/20 0.36
S1PR1 P21453 8/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
FFAR1 O14842 1/20 0.34
S1PR4 O95977 2/20 0.34
S1PR2 O95136 1/20 0.34

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
SCHEMBL29487196 0.82 CES2 (0.38)
SCHEMBL6991220 0.82 SLC6A3 (0.50) RPS6KB1SLC6A3SLC6A2SLC6A4
SCHEMBL5660658 0.82 CES2 (0.38)
Hydrochloric Acid SCHEMBL5685365 0.81 SLC6A3 (0.49) RPS6KB1SLC6A3SLC6A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL22805502 0.81 CES2 (0.37)
SCHEMBL13665960 0.78 SLC6A3 (0.39) S1PR3S1PR1SLC6A3SLC6A2SLC6A4
SCHEMBL2836720 0.78 S1PR1 (0.38) S1PR3S1PR1SLC6A3
SCHEMBL2835283 0.76 CYP3A4 (0.45) SLC6A3
SCHEMBL2836620 0.75 KIF11 (0.46) FFAR1
SCHEMBL960516 0.75 ADRB2 (0.50) S1PR3S1PR1SLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
CN-102333569-A Amine or amino alcohols as glyt1 inhibitors HOFFMANN LA ROCHE 2012-01-25 CN disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 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 (2 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-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 RPS6KB1 3512/4885S1PR3 2311/4885S1PR1 1528/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 RPS6KB1 3512/4885S1PR3 2311/4885S1PR1 1528/4885

“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.