Sugi Predict

Sugi Predict / Compounds / SCHEMBL7812908

SCHEMBL7812908

SCHEMBL7812908

N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1ccc(-c2cncc(F)c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ CYP11B2 P19099 3/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ S1PR3 Q99500 7/20 0.35
▸ S1PR4 O95977 5/20 0.35
▸ S1PR1 P21453 4/20 0.35
▸ INPPL1 O15357 2/20 0.34
▸ GPR55 Q9Y2T6 2/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ S1PR2 O95136 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 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
SCHEMBL2833788 0.87 CYP3A4 (0.36) GRIN1GRIN2BCYP11B2CYP11B1NQO2
SCHEMBL7809683 0.87 CYP3A4 (0.36) GRIN1GRIN2BCYP11B2CYP11B1NQO2
SCHEMBL7803596 0.80 CYP11B2 (0.36) GRIN1GRIN2BCYP11B2CYP11B1CYP3A4
SCHEMBL2833720 0.79 CYP11B2 (0.37) GRIN1GRIN2BCYP11B2CYP11B1INPPL1
SCHEMBL7811151 0.79 CYP11B2 (0.37) GRIN1GRIN2BCYP11B2CYP11B1INPPL1
SCHEMBL7803621 0.78 CYP3A4 (0.39) GRIN1GRIN2BCYP11B2CYP11B1JAK2
SCHEMBL2837389 0.77 CYP11B2 (0.38) CYP11B2CYP11B1GPR55CYP3A4
SCHEMBL7811160 0.77 CYP11B2 (0.38) CYP11B2CYP11B1GPR55CYP3A4
SCHEMBL7812930 0.76 AKR1C3 (0.41) CYP11B2CYP11B1CYP3A4CYP2D6SLC6A2
SCHEMBL7809486 0.74 MAP4K4 (0.43) GRIN1GRIN2BCYP11B2CYP11B1CYP3A4

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-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
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 GRIN1 55/4885GRIN2B 183/4885CYP11B2 1430/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 GRIN1 55/4885GRIN2B 183/4885CYP11B2 1430/4885

“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.