SCHEMBL2837636

SCHEMBL2837636

CC(C)(C)OC(=O)NC(c1ccc(Cl)c(Cl)c1)C(O)c1ccc(OCC2CCCO2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.39
NPC1 O15118 7/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ACACB O00763 1/20 0.37
MCHR1 Q99705 1/20 0.37
GRM5 P41594 1/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SLC6A3 Q01959 4/20 0.36

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
SCHEMBL2836530 0.96 FFAR1 (0.36) RAB9ANPC1CASP3SENP7SMN1; SMN2
SCHEMBL2834216 0.84 RAB9A (0.40) RAB9ANPC1CASP3SENP7SMN1; SMN2
SCHEMBL2837534 0.80 SCN1A (0.39) MAPTMITFMAPK1HTTACACB
SCHEMBL2839558 0.80 ACACB (0.43) MAPK1ACACBGRM5
SCHEMBL7803758 0.80 RAB9A (0.39) RAB9ANPC1CASP3SENP7SMN1; SMN2
SCHEMBL2834202 0.79 S1PR3 (0.41) RAB9ANPC1CASP3SENP7SMN1; SMN2
SCHEMBL22053065 0.69 HRH3 (0.43) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL22053066 0.69 HRH3 (0.43) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL22040910 0.69 HRH3 (0.43) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL2837331 0.69 CYP3A4 (0.42) MAPTMITFALDH1A1MAPK1HTT

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 5 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-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP 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

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 RAB9A 2034/4885NPC1 182/4885CASP3 4807/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 RAB9A 2034/4885NPC1 182/4885CASP3 4807/4885

“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.