SCHEMBL12346705

SCHEMBL12346705

CN(C)[C@H]1CCN(Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
HDAC1 Q13547 1/20 0.44
CHRM4 P08173 4/20 0.43
JAK2 O60674 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LTA4H P09960 1/20 0.41
ROCK2 O75116 1/20 0.41
DRD2 P14416 1/20 0.41
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41
MC4R P32245 1/20 0.40
MCHR1 Q99705 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PTGER4 P35408 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
SCHEMBL12387510 0.86 NAMPT (0.48) NAMPTSIGMAR1CA1CA2ROCK2
SCHEMBL1935348 0.84 HDAC1 (0.51) HDAC1CHRM4JAK2LTA4HMC4R
SCHEMBL1936304 0.84 HDAC1 (0.51) HDAC1CHRM4JAK2LTA4HMC4R
SCHEMBL6314471 0.81 CHRM4 (0.66) CHRM4JAK2SIGMAR1LTA4HNPFFR1
SCHEMBL3868915 0.81 NAMPT (0.54) NAMPTHDAC1SIGMAR1CA1CA2
SCHEMBL6224443 0.80 TAAR1 (0.51) HDAC1CHRM4JAK2DRD2MC4R
SCHEMBL23291145 0.79 CA1 (0.47) NAMPTSIGMAR1CA1CA2MC4R
SCHEMBL2239984 0.79 HDAC1 (0.44) HDAC1JAK2LTA4HSMN1; SMN2
SCHEMBL5677044 0.78 MCHR1 (0.48) NAMPTCHRM4SIGMAR1MCHR1
SCHEMBL16530233 0.77 NPFFR1 (0.50) CHRM4SIGMAR1DRD2NPFFR1NPFFR2

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 6 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-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

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 NAMPT 1694/4885HDAC1 2624/4885CHRM4 377/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NAMPT 1855/4885HDAC1 2556/4885CHRM4 291/4885

“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.