SCHEMBL1935348

SCHEMBL1935348

CN(C)C1CCN(Cc2ccc(CCNC(=O)O)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
CHRM4 P08173 1/20 0.50
MC4R P32245 4/20 0.47
JAK2 O60674 1/20 0.46
LTA4H P09960 2/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
OPRM1 P35372 1/20 0.45
MCHR1 Q99705 1/20 0.44
USP28 Q96RU2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL1936304 1.00 HDAC1 (0.51) HDAC1CHRM4MC4RJAK2LTA4H
SCHEMBL12346705 0.84 NAMPT (0.46) HDAC1CHRM4MC4RJAK2LTA4H
SCHEMBL23291139 0.83 HRH3 (0.54) MC4RLTA4H
SCHEMBL23928187 0.83 HRH3 (0.54) MC4RLTA4H
SCHEMBL1935388 0.83 S1PR5 (0.52) MC4RLTA4HS1PR4S1PR1S1PR3
SCHEMBL16581996 0.82 MC4R (0.50) MC4RLTA4HS1PR4S1PR1S1PR3
SCHEMBL1934345 0.82 MC4R (0.50) MC4RLTA4HS1PR4S1PR1S1PR3
SCHEMBL6706046 0.82 MCHR1 (0.67) HDAC1CHRM4MCHR1CYP2D6
SCHEMBL4578108 0.81 HDAC1 (0.58) HDAC1CHRM4JAK2LTA4HS1PR5
SCHEMBL15860138 0.81 HDAC1 (0.58) HDAC1CHRM4JAK2LTA4HS1PR5

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 HDAC1 2624/4885CHRM4 377/4885MC4R 771/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 HDAC1 2556/4885CHRM4 291/4885MC4R 845/4885

“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.