SCHEMBL1934050

SCHEMBL1934050

CN1CCCC(OC2CCN(C(=O)O)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
CYP2D6 P10635 2/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL1936071 0.92 CHRM3 (0.44) SMN1; SMN2CYP2D6HTTMEN1KMT2A
SCHEMBL2239008 0.81 HPGD (0.49) SMN1; SMN2CYP2D6HTT
SCHEMBL12347298 0.81 SMN1; SMN2 (0.45) SMN1; SMN2CYP2D6HTTL3MBTL1POLB
SCHEMBL29143106 0.77 GPR119 (0.33)
SCHEMBL6206557 0.74 SMN1; SMN2 (0.63) SMN1; SMN2CYP2D6HTTL3MBTL1POLB
SCHEMBL689750 0.74 SMN1; SMN2 (0.63) SMN1; SMN2CYP2D6HTTL3MBTL1POLB
SCHEMBL29303963 0.73 SMN1; SMN2 (0.40) SMN1; SMN2CYP2D6HTTL3MBTL1POLB
SCHEMBL1936182 0.73 SMN1; SMN2 (0.41) SMN1; SMN2CYP2D6HTTL3MBTL1POLB
SCHEMBL23267643 0.72 NCF1 (0.41) CYP2D6MEN1KMT2ACHRM4CHRM5
SCHEMBL1934472 0.72 GPR119 (0.51) SMN1; SMN2

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 SMN1; SMN2 4510/4885CYP2D6 1105/4885HTT 2939/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 SMN1; SMN2 4544/4885CYP2D6 1113/4885HTT 3144/4885

“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.