SCHEMBL2236823

SCHEMBL2236823

CNCc1ccc(CN2CCCC2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.61
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 3/20 0.51
HTT P42858 1/20 0.51
HRH3 Q9Y5N1 4/20 0.44
PRMT6 Q96LA8 1/20 0.43
CXCR3 P49682 4/20 0.42
BCHE P06276 4/20 0.42
ACHE P22303 3/20 0.42
BACE1 P56817 1/20 0.40
CHKA P35790 1/20 0.40

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 0.80 KDM4E (0.63) KDM4ESMN1; SMN2ALDH1A1HTTHRH3
SCHEMBL1934178 0.80 KDM4E (0.63) NCF1KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL2238259 0.79 NCF1 (0.61) NCF1KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL2927634 0.78 CHRM1 (0.51) KDM4ESMN1; SMN2ALDH1A1HTTHRH3
SCHEMBL1934394 0.77 NCF1 (1.00) NCF1KDM4ESMN1; SMN2ALDH1A1HRH3
Ammonia Solution, Strong SCHEMBL2927635 0.77 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1HTTHRH3
SCHEMBL12346847 0.76 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1HTTHRH3
SCHEMBL24747257 0.75 LOXL2 (0.38) KDM4EPRMT6
SCHEMBL21730465 0.75 NCF1 (0.96) NCF1KDM4ESMN1; SMN2ALDH1A1HRH3
SCHEMBL19993239 0.75 LOXL2 (0.38) NCF1KDM4EALDH1A1PRMT6

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 9 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

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 NCF1 1517/4885KDM4E 2806/4885SMN1; SMN2 4510/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NCF1 1606/4885KDM4E 2968/4885SMN1; 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.