SCHEMBL2835596

SCHEMBL2835596

NCC1CCc2cccc([N+](=O)[O-])c2CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 9/20 0.41
DRD2 P14416 1/20 0.40
ADRA2C P18825 1/20 0.40
NPY1R P25929 1/20 0.40
NPY5R Q15761 1/20 0.40
LAP3 P28838 1/20 0.39
ALOX15 P16050 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PNMT P11086 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ACHE P22303 1/20 0.37
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL3112310 0.80 AKR1C3 (0.38) DRD2ADRA2CNPY1RNPY5RLAP3
SCHEMBL10229512 0.80 ACHE (0.44) LAP3ALOX15TSHRALDH1A1CYP3A4
SCHEMBL2839996 0.79 NPY5R (0.45) DRD2ADRA2CNPY1RNPY5RALOX15
SCHEMBL13204381 0.76 CHRM2 (0.33) DRD2ADRA2C
SCHEMBL2840159 0.74 CD44 (0.43) DRD2ADRA2CNPY1RNPY5RALDH1A1
SCHEMBL31180267 0.74 MAPT (0.51) ALOX15TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL31207333 0.74 MEN1 (0.48) ALOX15TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL2243721 0.74 MEN1 (0.48) ALOX15TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL6688479 0.74 MAPT (0.51) ALOX15TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL2832699 0.73 GRIN2B (0.54) ADRA2CPNMT

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 10 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
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-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 US 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
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
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 PRKCQ 3515/4885DRD2 4832/4885ADRA2C 1267/4885

“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.