SCHEMBL7809121

SCHEMBL7809121

CC(C)Oc1ccc([C@@H](O)[C@@H](N)c2ccc(Cl)c(Cl)c2)nc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 10/20 0.39
S1PR1 P21453 6/20 0.38
S1PR2 O95136 3/20 0.36
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
S1PR4 O95977 5/20 0.35
JAK2 O60674 1/20 0.35
MAP4K4 O95819 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL7809003 0.77 ACACB (0.36) SLC6A2SLC6A4SLC6A3ACACB
SCHEMBL2833723 0.76 S1PR3 (0.50) S1PR3S1PR1S1PR2S1PR4
SCHEMBL7812389 0.75 P2RX3 (0.39) ACACB
SCHEMBL7812491 0.75 SLC6A2 (0.34) S1PR3S1PR1SLC6A2SLC6A4SLC6A3
SCHEMBL7812784 0.73 SMN1; SMN2 (0.38) SLC6A2SLC6A4SLC6A3CYP3A4ACACB
SCHEMBL2839358 0.73 SMN1; SMN2 (0.38) SLC6A2SLC6A4SLC6A3CYP3A4ACACB
SCHEMBL2841303 0.72 RXRA (0.49) SLC6A2SLC6A4SLC6A3JAK2
SCHEMBL7813925 0.72 RXRA (0.49) SLC6A2SLC6A4SLC6A3JAK2
SCHEMBL7817383 0.72 FFAR4 (0.45)
SCHEMBL2833257 0.72 FFAR4 (0.45)

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 S1PR3 2311/4885S1PR1 1528/4885S1PR2 2460/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 S1PR3 2311/4885S1PR1 1528/4885S1PR2 2460/4885

“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.