SCHEMBL7809218

SCHEMBL7809218

N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PRCP P42785 2/20 0.38
KCNH2 Q12809 5/20 0.37
CACNA1G O43497 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SLC6A3 Q01959 7/20 0.36
SLC6A2 P23975 6/20 0.36
SLC6A4 P31645 6/20 0.36
CYP3A4 P08684 5/20 0.36
CYP2D6 P10635 5/20 0.36
FAAH O00519 1/20 0.35
UGCG Q16739 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
SCHEMBL2832135 0.87 SLC6A2 (0.37) CYP17A1CYP2C9CYP2C19KCNH2CACNA1G
SCHEMBL7813390 0.87 SLC6A2 (0.37) CYP17A1CYP2C9CYP2C19KCNH2CACNA1G
SCHEMBL7812603 0.81 SLC6A2 (0.34) CYP17A1CYP2C9CYP2C19HTTKCNH2
SCHEMBL7813257 0.80 CETP (0.39) MAPTKCNH2ALDH1A1SLC6A3SLC6A2
SCHEMBL2836616 0.80 SMN1; SMN2 (0.41) MAPTKMT2AHTTKCNH2ALDH1A1
SCHEMBL7809264 0.80 SMN1; SMN2 (0.41) MAPTKMT2AHTTKCNH2ALDH1A1
SCHEMBL7813334 0.78 PARP15 (0.43) UGCG
Hydrochloric Acid SCHEMBL2837838 0.78 MAPT (0.48) CYP17A1CYP2C9CYP2C19MAPTMEN1
SCHEMBL7804278 0.75 SLC6A2 (0.45) KCNH2SLC6A3SLC6A2SLC6A4CYP3A4
SCHEMBL2836918 0.75 SLC6A2 (0.45) KCNH2SLC6A3SLC6A2SLC6A4CYP3A4

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 CYP17A1 960/4885CYP2C9 1734/4885CYP2C19 1120/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CYP17A1 960/4885CYP2C9 1734/4885CYP2C19 1120/4885

“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.