Sugi Predict

Sugi Predict / Compounds / SCHEMBL7809486

SCHEMBL7809486

SCHEMBL7809486

N[C@@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(-c2cncc(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.43
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ CYP11B2 P19099 6/20 0.37
▸ CYP11B1 P15538 4/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ SCN10A Q9Y5Y9 2/20 0.34
▸ DPP4 P27487 2/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ FFAR2 O15552 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ PTGS2 P35354 1/20 0.33

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
SCHEMBL2843200 1.00 MAP4K4 (0.43) MAP4K4GRIN1GRIN2BMKNK1MKNK2
SCHEMBL7809683 0.87 CYP3A4 (0.36) MAP4K4GRIN1GRIN2BMKNK1MKNK2
SCHEMBL2833788 0.87 CYP3A4 (0.36) MAP4K4GRIN1GRIN2BMKNK1MKNK2
SCHEMBL2833720 0.86 CYP11B2 (0.37) MAP4K4GRIN1GRIN2BMKNK1MKNK2
SCHEMBL7811151 0.86 CYP11B2 (0.37) MAP4K4GRIN1GRIN2BMKNK1MKNK2
SCHEMBL7811160 0.84 CYP11B2 (0.38) CYP11B2CYP11B1CYP17A1CYP3A4FFAR2
SCHEMBL2837389 0.84 CYP11B2 (0.38) CYP11B2CYP11B1CYP17A1CYP3A4FFAR2
SCHEMBL2836713 0.82 CYP11B2 (0.38) CYP11B2CYP11B1SCN10APTGS2
SCHEMBL7817248 0.82 CYP11B2 (0.38) CYP11B2CYP11B1SCN10APTGS2
SCHEMBL2834054 0.81 CYP19A1 (0.46) MAP4K4CYP3A4CNR1

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 MAP4K4 3022/4885GRIN1 55/4885GRIN2B 183/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 MAP4K4 3022/4885GRIN1 55/4885GRIN2B 183/4885

“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.