Sugi Predict

Sugi Predict / Compounds / SCHEMBL7811151

SCHEMBL7811151

SCHEMBL7811151

N[C@@H](c1ccc(Cl)c(F)c1)[C@H](O)c1ccc(-c2cncc(F)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 7/20 0.37
▸ CYP11B1 P15538 5/20 0.37
▸ CYP17A1 P05093 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ FFAR2 O15552 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ FAAH O00519 2/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ INPPL1 O15357 2/20 0.32

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
SCHEMBL2833720 1.00 CYP11B2 (0.37) CYP11B2CYP11B1CYP17A1CYP3A4DPP4
SCHEMBL7809683 0.91 CYP3A4 (0.36) CYP11B2CYP11B1CYP17A1CYP3A4FFAR2
SCHEMBL2833788 0.91 CYP3A4 (0.36) CYP11B2CYP11B1CYP17A1CYP3A4FFAR2
SCHEMBL2836713 0.86 CYP11B2 (0.38) CYP11B2CYP11B1AKT1
SCHEMBL7817248 0.86 CYP11B2 (0.38) CYP11B2CYP11B1AKT1
SCHEMBL2843200 0.86 MAP4K4 (0.43) CYP11B2CYP11B1CYP17A1CYP3A4DPP4
SCHEMBL7809486 0.86 MAP4K4 (0.43) CYP11B2CYP11B1CYP17A1CYP3A4DPP4
SCHEMBL2837389 0.85 CYP11B2 (0.38) CYP11B2CYP11B1CYP17A1CYP3A4FFAR2
SCHEMBL7811160 0.85 CYP11B2 (0.38) CYP11B2CYP11B1CYP17A1CYP3A4FFAR2
SCHEMBL7804200 0.84 MKNK1 (0.45) CYP17A1CYP3A4MKNK1MKNK2

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 CYP11B2 1430/4885CYP11B1 1146/4885CYP17A1 960/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CYP11B2 1430/4885CYP11B1 1146/4885CYP17A1 960/4885

“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.