Sugi Predict

Sugi Predict / Compounds / SCHEMBL7812993

SCHEMBL7812993

SCHEMBL7812993

N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1ccc(OC2CCOCC2)nc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 1/20 0.35
▸ SYK P43405 2/20 0.35
▸ SCN9A Q15858 3/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ ACACB O00763 3/20 0.33
▸ PAICS P22234 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PIK3CA P42336 2/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ SLC6A3 Q01959 4/20 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
SCHEMBL7816382 0.94 CYP3A4 (0.39) P2RX3P2RX2PDE4APDE4BPDE4C
SCHEMBL7816387 0.85 PRMT5 (0.36) SLC5A2SCN9AP2RX3P2RX2SCN5A
SCHEMBL7803719 0.83 MAPK1 (0.34) P2RX3P2RX2PDE4APDE4BPDE4C
SCHEMBL7812580 0.83 F10 (0.37) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL7808891 0.81 CYP3A4 (0.36) SLC5A2P2RX3P2RX2PDE4APDE4B
SCHEMBL7809003 0.81 ACACB (0.36) P2RX3P2RX2PDE4APDE4BPDE4C
SCHEMBL7816416 0.80 ACACB (0.36) P2RX3P2RX2PDE4APDE4BPDE4C
SCHEMBL7803720 0.79 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL7810349 0.78 PDE4D (0.40) SYKPDE4APDE4BPDE4CPDE4D
SCHEMBL7803766 0.78 PDE4D (0.36) P2RX3P2RX2PDE4APDE4BPDE4C

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 SLC5A2 152/4885SYK 1267/4885SCN9A 2518/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 SLC5A2 152/4885SYK 1267/4885SCN9A 2518/4885

“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.