SCHEMBL1934345

SCHEMBL1934345

O=C(O)NCCc1ccc(CN2CCC(O)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 5/20 0.50
ALDH1A1 P00352 3/20 0.50
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.44
LTA4H P09960 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX2 P34913 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43

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
SCHEMBL1935212 0.92 ALDH1A1 (0.62) MC4RALDH1A1LTA4H
SCHEMBL1936289 0.92 ALDH1A1 (0.49) MC4RALDH1A1SMN1; SMN2KDM4E
SCHEMBL1936354 0.89 S1PR1 (0.50) MC4RALDH1A1S1PR4S1PR1S1PR3
SCHEMBL16581996 0.86 MC4R (0.50) MC4RALDH1A1S1PR4S1PR1S1PR3
SCHEMBL1936302 0.83 S1PR1 (0.50) MC4RALDH1A1S1PR4S1PR1S1PR3
SCHEMBL1935348 0.82 HDAC1 (0.51) MC4RALDH1A1S1PR4S1PR1S1PR3
SCHEMBL1936304 0.82 HDAC1 (0.51) MC4RALDH1A1S1PR4S1PR1S1PR3
SCHEMBL1934406 0.82 SMN1; SMN2 (0.48) MC4RALDH1A1S1PR4S1PR1S1PR3
SCHEMBL1935344 0.81 MC4R (0.59) MC4RALDH1A1SMN1; SMN2LTA4HCD274
SCHEMBL1935388 0.80 S1PR5 (0.52) MC4RALDH1A1S1PR4S1PR1S1PR3

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
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 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 (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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MC4R 771/4885ALDH1A1 3283/4885S1PR4 657/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MC4R 845/4885ALDH1A1 3363/4885S1PR4 676/4885

“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.