Sugi Predict

Sugi Predict / Compounds / SCHEMBL7809141

SCHEMBL7809141

SCHEMBL7809141

N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1ccc(OC2CCOCC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ ACACB O00763 3/20 0.36
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ APP P05067 1/20 0.34
▸ HRH1 P35367 10/20 0.33
▸ CCR3 P51677 10/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PDE2A O00408 2/20 0.33
▸ PDE10A Q9Y233 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ F10 P00742 1/20 0.32
▸ PLG P00747 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 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
SCHEMBL7808880 0.94 ACACB (0.42) PTGS1PTGS2ACACBSLC6A2SLC6A4
SCHEMBL7812580 0.86 F10 (0.37) ACACBSLC6A2SLC6A4SLC6A3HRH1
SCHEMBL7803720 0.82 PDE4A (0.34) SLC6A2SLC6A4SLC6A3KCNH2PDE4A
SCHEMBL7810349 0.81 PDE4D (0.40) ACACBPDE4APDE4BPDE4CPDE4D
SCHEMBL7812615 0.79 ACACB (0.40) ACACBSLC6A2SLC6A4SLC6A3PDE2A
SCHEMBL7809003 0.79 ACACB (0.36) ACACBSLC6A2SLC6A4SLC6A3PDE2A
SCHEMBL7808891 0.78 CYP3A4 (0.36) ACACBSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7803758 0.77 RAB9A (0.39) ACACB
SCHEMBL7810821 0.76 ACACB (0.42) ACACBPDE2APDE10APDE4APDE4B
SCHEMBL7816387 0.76 PRMT5 (0.36) ACACBSLC6A2SLC6A4SLC6A3PDE2A

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 PTGS1 1853/4885PTGS2 3273/4885ACACB 996/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 PTGS1 1853/4885PTGS2 3273/4885ACACB 996/4885

“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.