SCHEMBL1935645

SCHEMBL1935645

CNCc1ccc2c(c1)CN(C)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.46
HDAC8 Q9BY41 1/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR6 P50406 1/20 0.42
PRMT6 Q96LA8 3/20 0.40
LOXL2 Q9Y4K0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HTR7 P34969 2/20 0.37
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NOS1 P29475 2/20 0.34
DDB1 Q16531 1/20 0.34

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
SCHEMBL22993217 0.90 MAOA (0.47) NCF1DRD2DRD3PRMT6MAOA
SCHEMBL3440315 0.81 NCF1 (0.47) NCF1DRD2DRD3HTR2AHTR2C
SCHEMBL29168623 0.81 HDAC8 (0.42) NCF1HDAC8DRD2DRD3HTR2A
SCHEMBL12141678 0.80 SLC6A2 (0.50) DRD2DRD3HTR2AHTR2CHTR6
SCHEMBL2255811 0.78 NAMPT (0.43) DRD2DRD3HTR2AHTR2CHTR6
SCHEMBL13024412 0.77 NAMPT (0.42) DRD2DRD3HTR2AHTR2CHTR6
SCHEMBL24329573 0.77 HTR2C (0.48) DRD2DRD3HTR2AHTR2CHTR6
SCHEMBL19249393 0.76 ALDH1A1 (0.46) NCF1PRMT6LOXL2KDM4ECYP3A4
SCHEMBL12853764 0.76 SLC6A4 (0.45) DRD2DRD3HTR2AHTR2CHTR6
SCHEMBL26165542 0.75 HRH3 (0.46) NCF1DRD2DRD3MAPT

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 NCF1 1517/4885HDAC8 4255/4885DRD2 798/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NCF1 1606/4885HDAC8 4265/4885DRD2 647/4885

“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.