SCHEMBL1506485

SCHEMBL1506485

O=C(OCc1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 19/20 0.58
SIGMAR1 Q99720 19/20 0.58
HRH1 P35367 5/20 0.58
HRH3 Q9Y5N1 5/20 0.58
HRH2 P25021 4/20 0.58
HTR1A P08908 3/20 0.58
ADRA2C P18825 2/20 0.58
ADRA2A P08913 2/20 0.58
ADRA2B P18089 2/20 0.58
HTR2A P28223 2/20 0.58
HTR2C P28335 2/20 0.58
HTR2B P41595 2/20 0.58
DRD1 P21728 1/20 0.58
HTR1B P28222 1/20 0.58
HTR1E P28566 1/20 0.58
SLC6A4 P31645 1/20 0.58
ADRB1 P08588 1/20 0.52
CHRM1 P11229 1/20 0.49
SLC6A2 P23975 1/20 0.49
DPP7 Q9UHL4 1/20 0.48

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
SCHEMBL326780 0.92 TMEM97 (0.64) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1945831 0.86 TMEM97 (0.56) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL2061335 0.85 NPC1 (0.50) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL2060625 0.82 TMEM97 (0.46) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL21800344 0.82 TMEM97 (0.66) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL324086 0.81 TMEM97 (0.64) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL31275772 0.81 TMEM97 (0.51) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1017246 0.80 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1506610 0.80 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL31129893 0.80 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2

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
CN-115028644-A SOS1 inhibitor heterocyclic compounds 首药控股(北京)股份有限公司 2022-09-09 CN disclosed
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP TMEM97 1613/4885SIGMAR1 1752/4885HRH1 3447/4885

“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.