SCHEMBL1949008

SCHEMBL1949008

N[C@@](O)(C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1)[C@H]1OCCN(c2ccc3[nH]c(=O)ccc3c2)C1=O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
RXFP1 Q9HBX9 2/20 0.31
TRPV1 Q8NER1 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL1947412 0.89 F9 (0.33) MAPK14MEN1KMT2ARXFP1TRPV1
SCHEMBL1950694 0.85 F9 (0.35) TRPV1
Ammonia Solution, Strong SCHEMBL1949006 0.81 F9 (0.46) MAPK14MEN1KMT2ARXFP1TP53
SCHEMBL1946989 0.80 F9 (0.36) MAPK14HTR1ASLC6A2SLC6A3MEN1
SCHEMBL15103450 0.78 F9 (0.37) MAPK14MEN1KMT2ARXFP1TP53
Ammonia Solution, Strong SCHEMBL1445030 0.71 F9 (0.48) MAPK14MEN1KMT2ARXFP1TRPV1
SCHEMBL1947802 0.70 F9 (0.39) MAPK14MEN1KMT2ARXFP1TRPV1
SCHEMBL1947452 0.70 SLC6A2 (0.35) MAPK14HTR1ASLC6A2SLC6A3MEN1
SCHEMBL15103680 0.69 F9 (0.39) MAPK14TRPV1
Ammonia Solution, Strong SCHEMBL1950693 0.66 F9 (0.51) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 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 (1 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 MAPK14 2257/4885HTR1A 4306/4885SLC6A2 4011/4885

“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.