SCHEMBL2238137

SCHEMBL2238137

COC1CN(Cc2ccc(CN(C)C(=O)O)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.51
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.45
MAOB P27338 2/20 0.43
LTA4H P09960 1/20 0.43
ACHE P22303 1/20 0.43
S1PR5 Q9H228 6/20 0.43
S1PR1 P21453 5/20 0.43
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL2237791 0.89 BCHE (0.62) BCHEHTTSMN1; SMN2PKMLMNA
SCHEMBL2239252 0.89 BCHE (0.56) BCHEHTTSMN1; SMN2PKMLMNA
SCHEMBL2235515 0.86 KDM4E (0.50) BCHEHTTSMN1; SMN2PKMLMNA
SCHEMBL2237426 0.84 HTR2C (0.43) BCHEHTTSMN1; SMN2PKMLMNA
SCHEMBL2239559 0.84 HTT (0.50) BCHEHTTSMN1; SMN2PKMLMNA
SCHEMBL2238913 0.84 HTT (0.50) BCHEHTTSMN1; SMN2PKMLMNA
SCHEMBL2237555 0.77 BCHE (0.54) BCHEHTTSMN1; SMN2PKMLMNA
SCHEMBL28369901 0.77 LTA4H (0.50) LTA4HS1PR5S1PR1KCNH2MCHR1
SCHEMBL2237428 0.77 S1PR1 (0.42) BCHEHTTLMNAMAOBLTA4H
SCHEMBL27786435 0.76 LTA4H (0.56) LMNALTA4HACHES1PR5S1PR1

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 3 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

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 BCHE 967/4885HTT 2939/4885SMN1; SMN2 4510/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BCHE 765/4885HTT 3144/4885SMN1; SMN2 4544/4885

“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.