SCHEMBL1936760

SCHEMBL1936760

O=C(O)NCc1cc(F)cc(CN2CCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.48
WNT1 P04628 2/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
POLB P06746 1/20 0.42
MCHR1 Q99705 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
METAP2 P50579 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL12346827 0.80 L3MBTL1 (0.45) DYRK1AWNT1ALDH1A1SMN1; SMN2CLK2
SCHEMBL3563691 0.79 METAP2 (0.47) ALDH1A1POLBCYP2D6CYP2C9METAP2
SCHEMBL2238993 0.78 NCF1 (0.62) DYRK1AALDH1A1SMN1; SMN2MCHR1HRH3
SCHEMBL15513484 0.78 HRH3 (0.60) ALDH1A1MCHR1HRH3HDAC1HDAC8
SCHEMBL2108519 0.77 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2POLBHRH3GAA
SCHEMBL1936053 0.76 NCF1 (0.54) ALDH1A1MCHR1HRH3HDAC1HDAC8
SCHEMBL1936180 0.76 ALDH1A1 (0.54) ALDH1A1SIGMAR1MCHR1CYP2D6CYP2C9
SCHEMBL30340989 0.75 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2POLBCYP2D6HRH3
SCHEMBL15587428 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HRH3GAAHTT
SCHEMBL1936493 0.73 PRMT6 (0.61) ALDH1A1SMN1; SMN2POLBHRH3GAA

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
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 (1 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 DYRK1A 1636/4885WNT1 2371/4885ALDH1A1 3283/4885

“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.