Sugi Predict

Sugi Predict / Compounds / SCHEMBL7804180

SCHEMBL7804180

SCHEMBL7804180

N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.50
▸ MKNK1 Q9BUB5 4/20 0.48
▸ MKNK2 Q9HBH9 4/20 0.48
▸ NPY5R Q15761 1/20 0.46
▸ CYP3A4 P08684 6/20 0.43
▸ CYP2D6 P10635 5/20 0.43
▸ SLC6A2 P23975 5/20 0.43
▸ SLC6A4 P31645 5/20 0.43
▸ SLC6A3 Q01959 5/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP2A6 P11509 3/20 0.41
▸ CYP17A1 P05093 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ EIF4E P06730 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39

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
SCHEMBL2838945 1.00 KDR (0.50) KDRMKNK1MKNK2NPY5RCYP3A4
SCHEMBL2833940 0.89 MKNK1 (0.45) KDRMKNK1MKNK2CYP3A4NPC1
SCHEMBL2836766 0.89 MKNK1 (0.45) KDRMKNK1MKNK2NPY5RCYP3A4
SCHEMBL7817137 0.89 MKNK1 (0.45) KDRMKNK1MKNK2CYP3A4NPC1
SCHEMBL7804208 0.89 MKNK1 (0.45) KDRMKNK1MKNK2NPY5RCYP3A4
SCHEMBL7804200 0.89 MKNK1 (0.45) KDRMKNK1MKNK2NPY5RCYP3A4
SCHEMBL7803951 0.85 CYP19A1 (0.46) MKNK1MKNK2NPY5RCYP3A4NPC1
SCHEMBL2839284 0.85 CYP19A1 (0.46) MKNK1MKNK2NPY5RCYP3A4NPC1
Hydrochloric Acid SCHEMBL2838936 0.84 CYP19A1 (0.45) MKNK1MKNK2NPY5RCYP3A4NPC1
SCHEMBL7809855 0.81 KDR (0.44) KDRMKNK1MKNK2NPY5RCYP3A4

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 KDR 4149/4885MKNK1 3432/4885MKNK2 3630/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 KDR 4149/4885MKNK1 3432/4885MKNK2 3630/4885

“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.