SCHEMBL1934178

SCHEMBL1934178

NCc1ccc(CN2CCCC2)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
ALDH1A1 P00352 5/20 0.56
PRMT6 Q96LA8 2/20 0.56
HTT P42858 1/20 0.56
HRH3 Q9Y5N1 3/20 0.46
ACHE P22303 4/20 0.44
BCHE P06276 3/20 0.44
CA2 P00918 1/20 0.44
NCF1 P14598 1/20 0.44
CHKA P35790 1/20 0.44
CXCR3 P49682 2/20 0.42
HRH4 Q9H3N8 1/20 0.42

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
SCHEMBL20210279 0.83 KDM4E (0.63) KDM4ESMN1; SMN2ALDH1A1HTTHRH3
SCHEMBL6225770 0.82 ALDH1A1 (0.63) KDM4ESMN1; SMN2ALDH1A1PRMT6HTT
SCHEMBL24732674 0.80 POLB (0.56) KDM4ESMN1; SMN2ALDH1A1PRMT6HRH3
SCHEMBL29808844 0.80 PRMT6 (0.56) KDM4ESMN1; SMN2ALDH1A1PRMT6HRH3
SCHEMBL24732909 0.80 PRMT6 (0.56) KDM4ESMN1; SMN2ALDH1A1PRMT6HRH3
SCHEMBL29809196 0.80 POLB (0.56) KDM4ESMN1; SMN2ALDH1A1PRMT6HRH3
SCHEMBL2236823 0.80 NCF1 (0.61) KDM4ESMN1; SMN2ALDH1A1PRMT6HTT
SCHEMBL13495620 0.79 SMN1; SMN2 (0.67) KDM4ESMN1; SMN2ALDH1A1HTTHRH3
SCHEMBL6792953 0.79 KDM4E (0.96) KDM4ESMN1; SMN2ALDH1A1HTTHRH3
SCHEMBL30341003 0.77 KDM4E (1.00) KDM4ESMN1; SMN2ALDH1A1HTTHRH3

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 12 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
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-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 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
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 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
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 KDM4E 2806/4885SMN1; SMN2 4510/4885ALDH1A1 3283/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 KDM4E 2968/4885SMN1; SMN2 4544/4885ALDH1A1 3363/4885

“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.