SCHEMBL1936302

SCHEMBL1936302

O=C(O)NCCc1ccc(CN2CC(O)C(O)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.50
S1PR5 Q9H228 4/20 0.50
FUCA1 P04066 2/20 0.49
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
S1PR3 Q99500 2/20 0.45
S1PR4 O95977 1/20 0.45
GBA1 P04062 2/20 0.43
MCHR1 Q99705 3/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
MC4R P32245 3/20 0.43
CCR3 P51677 1/20 0.41
CNR1 P21554 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL1936354 0.91 S1PR1 (0.50) S1PR1S1PR5FUCA1ALDH1A1KDM4E
SCHEMBL1934345 0.83 MC4R (0.50) S1PR1S1PR5ALDH1A1KDM4ES1PR3
SCHEMBL1936178 0.83 S1PR1 (0.46) S1PR1S1PR5ALDH1A1KDM4ES1PR3
SCHEMBL1936289 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EMCHR1CYP2D6CHRM1
SCHEMBL6704645 0.81 KDM4E (0.47) S1PR1S1PR5ALDH1A1KDM4EMCHR1
SCHEMBL1936132 0.81 MCHR1 (0.61) ALDH1A1KDM4EMCHR1CYP2D6CHRM1
SCHEMBL1935212 0.81 ALDH1A1 (0.62) ALDH1A1MCHR1CYP2D6CHRM1HTR2A
SCHEMBL16581996 0.80 MC4R (0.50) S1PR1S1PR5ALDH1A1KDM4ES1PR3
SCHEMBL16582019 0.76 KMT2A (0.51) ALDH1A1CYP2D6
SCHEMBL1935348 0.76 HDAC1 (0.51) S1PR1S1PR5ALDH1A1KDM4ES1PR3

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 614/4885FUCA1 2765/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 S1PR1 381/4885S1PR5 640/4885FUCA1 2616/4885

“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.