SCHEMBL2837389

SCHEMBL2837389

Cc1ccc(C(N)C(O)c2ccc(-c3cncc(F)c3)cc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.38
CYP11B1 P15538 3/20 0.34
FFAR2 O15552 1/20 0.34
PTGS2 P35354 7/20 0.34
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
PTGES O14684 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
CYP3A4 P08684 2/20 0.33
GRIA2 P42262 1/20 0.33
CYP17A1 P05093 1/20 0.33
PTGS1 P23219 1/20 0.33
HSD11B1 P28845 1/20 0.33
GPR55 Q9Y2T6 1/20 0.32
DYRK1A Q13627 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
SCHEMBL7811160 1.00 CYP11B2 (0.38) CYP11B2CYP11B1FFAR2PTGS2XDH
SCHEMBL2833788 0.89 CYP3A4 (0.36) CYP11B2CYP11B1FFAR2CYP3A4CYP17A1
SCHEMBL2836713 0.89 CYP11B2 (0.38) CYP11B2CYP11B1PTGS2XDHSLC22A12
SCHEMBL7817248 0.89 CYP11B2 (0.38) CYP11B2CYP11B1PTGS2XDHSLC22A12
SCHEMBL7809683 0.89 CYP3A4 (0.36) CYP11B2CYP11B1FFAR2CYP3A4CYP17A1
SCHEMBL7811151 0.85 CYP11B2 (0.37) CYP11B2CYP11B1FFAR2CYP3A4CYP17A1
SCHEMBL2833720 0.85 CYP11B2 (0.37) CYP11B2CYP11B1FFAR2CYP3A4CYP17A1
SCHEMBL7809486 0.84 MAP4K4 (0.43) CYP11B2CYP11B1FFAR2PTGS2CYP3A4
SCHEMBL2843200 0.84 MAP4K4 (0.43) CYP11B2CYP11B1FFAR2PTGS2CYP3A4
SCHEMBL7817137 0.82 MKNK1 (0.45) CYP11B2CYP3A4CYP17A1

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-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US claimed
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 CYP11B2 1430/4885CYP11B1 1146/4885FFAR2 2408/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CYP11B2 1430/4885CYP11B1 1146/4885FFAR2 2408/4885

“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.