SCHEMBL1936450

SCHEMBL1936450

COC1CCCN(Cc2ccc(CCNC(=O)O)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.50
MAOB P27338 3/20 0.50
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.44
DRD4 P21917 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
ACHE P22303 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL1934406 0.93 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2ALDH1A1LTA4H
SCHEMBL1936178 0.88 S1PR1 (0.46) KDM4ESMN1; SMN2ALDH1A1LTA4H
SCHEMBL1935635 0.85 SMN1; SMN2 (0.53) BCHEKDM4ESMN1; SMN2TP53POLB
SCHEMBL1935212 0.83 ALDH1A1 (0.62) ALDH1A1LTA4H
SCHEMBL2237791 0.81 BCHE (0.62) BCHEMAOBKDM4EATML3MBTL1
SCHEMBL13285981 0.80 SIGMAR1 (0.62) BCHEPOLBALDH1A1DRD4TMEM97
SCHEMBL1936132 0.79 MCHR1 (0.61) KDM4EL3MBTL1ALDH1A1
SCHEMBL2237558 0.79 BCHE (0.49) BCHEMAOBKDM4EATML3MBTL1
SCHEMBL18225803 0.79 ALDH1A1 (0.40) BCHEMAOBKDM4EPOLBALDH1A1
SCHEMBL18081018 0.78 BCHE (0.61) BCHEMAOBKDM4EALDH1A1ACHE

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 BCHE 967/4885MAOB 176/4885KDM4E 2806/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BCHE 765/4885MAOB 218/4885KDM4E 2968/4885

“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.