SCHEMBL7809003

SCHEMBL7809003

N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1ccc(OC2CCOCC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.36
P2RX3 P56373 7/20 0.35
P2RX2 Q9UBL9 7/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PDE2A O00408 2/20 0.34
PDE10A Q9Y233 2/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL7812389 0.94 P2RX3 (0.39) ACACBP2RX3P2RX2PDE2APDE10A
SCHEMBL7812580 0.86 F10 (0.37) ACACBSLC6A2SLC6A4SLC6A3PDE2A
SCHEMBL7812993 0.81 SLC5A2 (0.35) ACACBP2RX3P2RX2SLC6A3PDE4A
SCHEMBL7812615 0.79 ACACB (0.40) ACACBSLC6A2SLC6A4SLC6A3PDE2A
SCHEMBL7809141 0.79 PTGS1 (0.39) ACACBSLC6A2SLC6A4SLC6A3PDE2A
SCHEMBL7816387 0.78 PRMT5 (0.36) ACACBP2RX3P2RX2SLC6A2SLC6A4
SCHEMBL7803719 0.78 MAPK1 (0.34) ACACBP2RX3P2RX2SLC6A3PDE4A
SCHEMBL7809121 0.77 S1PR3 (0.39) ACACBSLC6A2SLC6A4SLC6A3
SCHEMBL7810821 0.76 ACACB (0.42) ACACBPDE2APDE10APDE4APDE4B
SCHEMBL7803720 0.75 PDE4A (0.34) SLC6A2SLC6A4SLC6A3PDE4APDE4B

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 ACACB 996/4885P2RX3 3900/4885P2RX2 3551/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 ACACB 996/4885P2RX3 3900/4885P2RX2 3551/4885

“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.