SCHEMBL2836713

SCHEMBL2836713

Cc1ccc(C(N)C(O)c2ccc(-c3cncc(F)c3)cc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.38
CYP11B1 P15538 3/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
GRIA2 P42262 1/20 0.34
AKT1 P31749 1/20 0.34
PTGS2 P35354 5/20 0.34
GPR55 Q9Y2T6 1/20 0.34
PTGES O14684 1/20 0.33
DYRK1A Q13627 1/20 0.33
PIK3CG P48736 1/20 0.33
ABL1 P00519 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
CHRM4 P08173 1/20 0.32
TLR7 Q9NYK1 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
SCHEMBL7817248 1.00 CYP11B2 (0.38) CYP11B2CYP11B1AKR1C3AKR1C2XDH
SCHEMBL2837389 0.89 CYP11B2 (0.38) CYP11B2CYP11B1XDHSLC22A12GRIA2
SCHEMBL7811160 0.89 CYP11B2 (0.38) CYP11B2CYP11B1XDHSLC22A12GRIA2
SCHEMBL7811151 0.86 CYP11B2 (0.37) CYP11B2CYP11B1AKT1
SCHEMBL2833720 0.86 CYP11B2 (0.37) CYP11B2CYP11B1AKT1
SCHEMBL7813197 0.85 AKR1C3 (0.44) AKR1C3AKR1C2GPR55
SCHEMBL2841598 0.85 AKR1C3 (0.44) AKR1C3AKR1C2GPR55
SCHEMBL2836844 0.84 CYP11B2 (0.50) CYP11B2CYP11B1
SCHEMBL7804274 0.84 CYP11B2 (0.50) CYP11B2CYP11B1
SCHEMBL2833788 0.82 CYP3A4 (0.36) CYP11B2CYP11B1

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 1146/4885AKR1C3 1313/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CYP11B2 1430/4885CYP11B1 1146/4885AKR1C3 1313/4885

“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.