SCHEMBL1949475

SCHEMBL1949475

Cc1ccc(N2CCN(C(=O)OCc3ccccc3)CC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
TMEM97 Q5BJF2 10/20 0.49
SIGMAR1 Q99720 10/20 0.49
HRH1 P35367 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD1 P21728 1/20 0.49
HRH2 P25021 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR1E P28566 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR2B P41595 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL5836154 0.91 MEN1 (0.53) HPGDTMEM97SIGMAR1HRH1HRH3
SCHEMBL3767269 0.88 TMEM97 (0.47) HPGDTMEM97SIGMAR1HRH1HRH3
SCHEMBL6323472 0.88 MEN1 (0.48) HPGDTMEM97SIGMAR1HRH1HRH3
SCHEMBL5592397 0.87 TMEM97 (0.47) HPGDTMEM97SIGMAR1HRH1HRH3
SCHEMBL5592390 0.82 TMEM97 (0.46) HPGDTMEM97SIGMAR1HRH1HRH3
SCHEMBL19960792 0.82 SMN1; SMN2 (0.45) HPGDTMEM97SIGMAR1HRH1HRH3
SCHEMBL5592283 0.81 MEN1 (0.52) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL5592319 0.81 TMEM97 (0.43) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL5592314 0.80 MEN1 (0.51) HPGDTMEM97SIGMAR1HRH1HRH3
SCHEMBL955547 0.80 MEN1 (0.55) TMEM97SIGMAR1HRH1HRH3HTR1A

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-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 HPGD 3092/4885TMEM97 2420/4885SIGMAR1 4034/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 HPGD 3092/4885TMEM97 2420/4885SIGMAR1 4034/4885

“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.