SCHEMBL2237424

SCHEMBL2237424

COC1CN(Cc2ccc(CC(NC(=O)O)C(C)(C)C)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 9/20 0.40
S1PR1 P21453 7/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LTA4H P09960 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 1/20 0.37
BCHE P06276 2/20 0.36
MAOB P27338 2/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CTSC P53634 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL2234962 0.91 LTA4H (0.42) CYP3A4CYP2D6CYP2C9CYP2C19LTA4H
SCHEMBL2237552 0.89 BCHE (0.46) LTA4HKDM4EBCHEMAOB
SCHEMBL2240254 0.88 KDM4E (0.45) CYP3A4CYP2D6CYP2C9CYP2C19LTA4H
SCHEMBL2237876 0.86 FUCA1 (0.42) S1PR5S1PR1KDM4E
SCHEMBL1935382 0.86 S1PR1 (0.42) S1PR5S1PR1PDCD1CD274
SCHEMBL2236465 0.80 ALDH1A1 (0.44) LTA4HPDCD1CD274
SCHEMBL2238588 0.80 ALDH1A1 (0.44) CYP2D6KDM4E
SCHEMBL2237326 0.78 ALDH1A1 (0.54) LTA4H
SCHEMBL2239983 0.77 HDAC1 (0.47) LTA4HKCNH2KDM4ECHRM2CHRM3
SCHEMBL2239911 0.77 LTA4H (0.49) LTA4HMCHR1CD274CHRM2CHRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US 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 (1 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-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 S1PR5 640/4885S1PR1 381/4885CYP3A4 1484/4885

“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.