SCHEMBL1936178

SCHEMBL1936178

COC1CN(Cc2ccc(CCNC(=O)O)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.46
S1PR5 Q9H228 4/20 0.46
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
S1PR3 Q99500 2/20 0.44
S1PR4 O95977 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LTA4H P09960 1/20 0.42
KMT2A Q03164 2/20 0.42
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
FPR2 P25090 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL1934406 0.90 SMN1; SMN2 (0.48) S1PR1S1PR5KDM4ESMN1; SMN2S1PR3
SCHEMBL1936450 0.88 BCHE (0.50) KDM4ESMN1; SMN2ALDH1A1LTA4H
SCHEMBL1935635 0.87 SMN1; SMN2 (0.53) KDM4ESMN1; SMN2ALDH1A1MCHR1
SCHEMBL1936354 0.83 S1PR1 (0.50) S1PR1S1PR5KDM4ESMN1; SMN2S1PR3
SCHEMBL1936302 0.83 S1PR1 (0.50) S1PR1S1PR5KDM4ES1PR3S1PR4
SCHEMBL6704645 0.77 KDM4E (0.47) S1PR1S1PR5KDM4EALDH1A1MCHR1
SCHEMBL1936132 0.77 MCHR1 (0.61) KDM4EALDH1A1MCHR1
SCHEMBL12311 0.76 S1PR1 (0.51) S1PR1S1PR5ALDH1A1LTA4HKMT2A
SCHEMBL16581996 0.76 MC4R (0.50) S1PR1S1PR5KDM4ESMN1; SMN2S1PR3
SCHEMBL1934345 0.76 MC4R (0.50) S1PR1S1PR5KDM4ESMN1; SMN2S1PR3

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 S1PR1 358/4885S1PR5 614/4885KDM4E 2806/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 S1PR1 381/4885S1PR5 640/4885KDM4E 2968/4885

“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.