SCHEMBL7809508

SCHEMBL7809508

Nc1ccc(-c2ccc([C@@H](O)[C@@H](N)c3ccc(Cl)cc3)cc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
MAP4K4 O95819 8/20 0.49
CYP1A2 P05177 1/20 0.49
KCNH2 Q12809 1/20 0.49
MINK1 Q8N4C8 1/20 0.49
TNIK Q9UKE5 1/20 0.49
PIK3CD O00329 4/20 0.47
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
ADK P55263 1/20 0.36
INPPL1 O15357 1/20 0.36
AOC3 Q16853 1/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL2839105 1.00 LTA4H (0.55) LTA4HMAP4K4CYP1A2KCNH2MINK1
SCHEMBL7816911 0.81 MKNK1 (0.48) LTA4HMAP4K4KCNH2PIK3CDMKNK1
SCHEMBL2833733 0.81 MKNK1 (0.48) LTA4HMAP4K4KCNH2PIK3CDMKNK1
SCHEMBL312830 0.80 LTA4H (0.79) LTA4HMAP4K4CYP1A2KCNH2MINK1
SCHEMBL7809471 0.79 CYP19A1 (0.46) MAP4K4
SCHEMBL2834054 0.79 CYP19A1 (0.46) MAP4K4
SCHEMBL24645195 0.79 ADRB2 (0.50) CYP1A2AOC3GAA
SCHEMBL19598258 0.79 ADRB2 (0.50) CYP1A2AOC3GAA
SCHEMBL15989839 0.79 ADRB2 (0.50) CYP1A2AOC3GAA
SCHEMBL15989837 0.79 ADRB2 (0.50) CYP1A2AOC3GAA

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 7 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-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
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US 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
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 LTA4H 2447/4885MAP4K4 3022/4885CYP1A2 477/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 LTA4H 2447/4885MAP4K4 3022/4885CYP1A2 477/4885

“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.