SCHEMBL2835628

SCHEMBL2835628

O=C(O)NCC1CCc2ccc([N+](=O)[O-])cc2CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.54
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.44
ADRA2A P08913 2/20 0.43
PNMT P11086 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 1/20 0.40
VCP P55072 1/20 0.40
FAAH O00519 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL2832699 0.77 GRIN2B (0.54) GRIN2BADRA2APNMTMEN1RAB9A
SCHEMBL2833768 0.77 EPHX1 (0.47) GRIN2BSMN1; SMN2MEN1KMT2ADRD2
SCHEMBL3110392 0.75 GRIN2B (0.47) GRIN2BALDH1A1ADRA2APNMTMEN1
SCHEMBL26185845 0.73 SIGMAR1 (0.60) ALDH1A1L3MBTL1FAAHACHE
SCHEMBL30709850 0.73 PNMT (0.65) GRIN2BALDH1A1ADRA2APNMTMEN1
SCHEMBL9483063 0.73 PNMT (0.65) GRIN2BALDH1A1ADRA2APNMTMEN1
SCHEMBL17248039 0.72 TDP1 (0.51) GRIN2BADRA2APNMTHDAC8
SCHEMBL16252312 0.72 TDP1 (0.51) GRIN2BADRA2APNMT
SCHEMBL1919026 0.72 GRIN2B (0.55) GRIN2BADRA2APNMTMEN1RAB9A
SCHEMBL467795 0.72 GRIN2B (0.55) GRIN2BADRA2APNMTMEN1RAB9A

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
EP-2170059-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 US disclosed
EP-2170059-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156717-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 WO 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-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP GRIN2B 4473/4885POLB 1879/4885ALDH1A1 2019/4885

“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.