SCHEMBL2834190

SCHEMBL2834190

COc1cncc(-c2ccc(C(O)C(N)c3ccc(Cl)cc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
CYP11B2 P19099 9/20 0.45
CYP11B1 P15538 8/20 0.45
CYP3A4 P08684 5/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
MAP4K4 O95819 2/20 0.41
CYP2D6 P10635 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP17A1 P05093 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB3 Q05901 1/20 0.38

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
SCHEMBL7809451 1.00 MKNK1 (0.50) MKNK1MKNK2CYP11B2CYP11B1CYP3A4
SCHEMBL15952578 0.87 CYP3A4 (0.52) MKNK1MKNK2CYP11B2CYP11B1CYP3A4
SCHEMBL2834940 0.82 CNR1 (0.47) CYP17A1
SCHEMBL7813589 0.82 CNR1 (0.47) CYP17A1
SCHEMBL7809486 0.81 MAP4K4 (0.43) MKNK1MKNK2CYP11B2CYP11B1CYP3A4
SCHEMBL2843200 0.81 MAP4K4 (0.43) MKNK1MKNK2CYP11B2CYP11B1CYP3A4
SCHEMBL7809471 0.78 CYP19A1 (0.46) CYP3A4MAP4K4CYP2D6SLC6A2SLC6A4
SCHEMBL2834054 0.78 CYP19A1 (0.46) CYP3A4MAP4K4CYP2D6SLC6A2SLC6A4
SCHEMBL7816911 0.77 MKNK1 (0.48) MKNK1MKNK2MAP4K4ALPL
SCHEMBL2833733 0.77 MKNK1 (0.48) MKNK1MKNK2MAP4K4ALPL

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP claimed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO claimed
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 MKNK1 3432/4885MKNK2 3630/4885CYP11B2 1430/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 MKNK1 3432/4885MKNK2 3630/4885CYP11B2 1430/4885

“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.