SCHEMBL2234962

SCHEMBL2234962

COC1CCN(Cc2ccc(CC(NC(=O)O)C(C)(C)C)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GRM2 Q14416 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
TSHR P16473 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
BCHE P06276 1/20 0.38
SCN4A P35499 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2237552 0.94 BCHE (0.46) LTA4HKDM4EBCHE
SCHEMBL2240254 0.93 KDM4E (0.45) LTA4HKDM4EBCHECYP3A4CYP2D6
SCHEMBL2237424 0.91 S1PR5 (0.40) LTA4HKDM4EPDCD1CD274CHRM2
SCHEMBL2236465 0.85 ALDH1A1 (0.44) LTA4HPDCD1CD274SCN4A
SCHEMBL2238588 0.83 ALDH1A1 (0.44) KDM4ECYP2D6
SCHEMBL2239983 0.83 HDAC1 (0.47) LTA4HKDM4EGRM2CHRM2CHRM3
SCHEMBL2239911 0.82 LTA4H (0.49) LTA4HCD274CHRM2CHRM1CHRM3
SCHEMBL2237326 0.81 ALDH1A1 (0.54) LTA4H
SCHEMBL1936094 0.81 SCN4A (0.43) LTA4HKDM4ESCN4A
SCHEMBL2237876 0.80 FUCA1 (0.42) KDM4E

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 LTA4H 248/4885KDM4E 2968/4885GRM2 1696/4885

“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.