SCHEMBL1935344

SCHEMBL1935344

CC(=O)NC1CCN(Cc2ccc(CCNC(=O)O)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC4R P32245 5/20 0.59
MCHR1 Q99705 2/20 0.59
CYP2D6 P10635 1/20 0.59
CHRM1 P11229 1/20 0.59
HTR2A P28223 1/20 0.59
LTA4H P09960 2/20 0.53
DRD2 P14416 5/20 0.52
DRD4 P21917 5/20 0.52
CCR2 P41597 3/20 0.50
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CD274 Q9NZQ7 1/20 0.48

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
SCHEMBL12387529 0.85 LTA4H (0.57) MC4RMCHR1CYP2D6CHRM1HTR2A
Hydrochloric Acid SCHEMBL2313345 0.84 LTA4H (0.56) MC4RMCHR1CYP2D6CHRM1HTR2A
SCHEMBL1781392 0.83 DRD4 (0.67) MCHR1LTA4HDRD2DRD4
SCHEMBL7500995 0.83 DRD4 (0.67) MCHR1LTA4HDRD2DRD4
SCHEMBL7393471 0.83 DRD4 (0.67) MCHR1LTA4HDRD2DRD4
SCHEMBL4591750 0.81 SIGMAR1 (0.58) MCHR1LTA4HDRD2DRD4CCR2
SCHEMBL1934345 0.81 MC4R (0.50) MC4RLTA4HALDH1A1SMN1; SMN2CD274
SCHEMBL5434322 0.81 SIGMAR1 (0.58) MCHR1LTA4HDRD2DRD4CCR2
SCHEMBL5421451 0.81 SIGMAR1 (0.58) MCHR1LTA4HDRD2DRD4CCR2
SCHEMBL16581996 0.81 MC4R (0.50) MC4RMCHR1CYP2D6CHRM1HTR2A

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 MC4R 771/4885MCHR1 344/4885CYP2D6 1105/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MC4R 845/4885MCHR1 366/4885CYP2D6 1113/4885

“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.