Sugi Predict

Sugi Predict / Compounds / SCHEMBL7809683

SCHEMBL7809683

SCHEMBL7809683

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.36
▸ SLC6A2 P23975 7/20 0.36
▸ SLC6A4 P31645 7/20 0.36
▸ SLC6A3 Q01959 7/20 0.36
▸ CYP2D6 P10635 6/20 0.36
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ CYP11B2 P19099 4/20 0.35
▸ CYP11B1 P15538 2/20 0.35
▸ CYP17A1 P05093 1/20 0.34
▸ FFAR2 O15552 1/20 0.34
▸ PTPN5 P54829 3/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ KCNH2 Q12809 3/20 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
SCHEMBL2833788 1.00 CYP3A4 (0.36) CYP3A4SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7811151 0.91 CYP11B2 (0.37) CYP3A4GRIN1GRIN2BCYP11B2CYP11B1
SCHEMBL2833720 0.91 CYP11B2 (0.37) CYP3A4GRIN1GRIN2BCYP11B2CYP11B1
SCHEMBL2837389 0.89 CYP11B2 (0.38) CYP3A4CYP11B2CYP11B1CYP17A1FFAR2
SCHEMBL7811160 0.89 CYP11B2 (0.38) CYP3A4CYP11B2CYP11B1CYP17A1FFAR2
SCHEMBL7812908 0.87 GRIN1 (0.37) CYP3A4SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7809486 0.87 MAP4K4 (0.43) CYP3A4GRIN1GRIN2BCYP11B2CYP11B1
SCHEMBL2843200 0.87 MAP4K4 (0.43) CYP3A4GRIN1GRIN2BCYP11B2CYP11B1
SCHEMBL7803596 0.85 CYP11B2 (0.36) CYP3A4SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7812930 0.83 AKR1C3 (0.41) CYP3A4SLC6A2SLC6A4SLC6A3CYP2D6

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 CYP3A4 1043/4885SLC6A2 13/4885SLC6A4 33/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CYP3A4 1043/4885SLC6A2 13/4885SLC6A4 33/4885

“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.