SCHEMBL1935388

SCHEMBL1935388

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.52
S1PR4 O95977 1/20 0.52
S1PR1 P21453 1/20 0.52
S1PR3 Q99500 1/20 0.52
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SCN4A P35499 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 3/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MC4R P32245 1/20 0.45
LTA4H P09960 2/20 0.44
TP53 P04637 1/20 0.44
MLNR O43193 1/20 0.44

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
SCHEMBL1935348 0.83 HDAC1 (0.51) S1PR5S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL1936304 0.83 HDAC1 (0.51) S1PR5S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL12009956 0.82 KDM4E (0.64) S1PR5ALDH1A1CYP2D6HPGDSCN4A
SCHEMBL12346767 0.81 HTT (0.50) S1PR5S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL2241512 0.81 HTT (0.64) S1PR5S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL16581996 0.80 MC4R (0.50) S1PR5S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL1934345 0.80 MC4R (0.50) S1PR5S1PR4S1PR1S1PR3ALDH1A1
Hydrochloric Acid SCHEMBL1936343 0.80 HTT (0.49) S1PR5S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL1936100 0.79 S1PR5 (0.49) S1PR5S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL1934406 0.79 SMN1; SMN2 (0.48) S1PR5S1PR4S1PR1S1PR3ALDH1A1

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 S1PR5 614/4885S1PR4 657/4885S1PR1 358/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 S1PR5 640/4885S1PR4 676/4885S1PR1 381/4885

“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.