SCHEMBL1936341

SCHEMBL1936341

CC1CCCCN1Cc1ccc(CN)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.77
KDM4E B2RXH2 2/20 0.68
HRH3 Q9Y5N1 5/20 0.61
MAPT P10636 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LTA4H P09960 2/20 0.52
POLB P06746 1/20 0.49
CXCR4 P61073 6/20 0.49

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
Hydrochloric Acid SCHEMBL1935125 0.98 ALDH1A1 (0.74) ALDH1A1KDM4EHRH3MAPTCRHBP
SCHEMBL6705715 0.87 ALDH1A1 (0.77) ALDH1A1KDM4EHRH3MAPTCRHBP
SCHEMBL13650840 0.87 ALDH1A1 (0.77) ALDH1A1KDM4EHRH3MAPTCRHBP
SCHEMBL5528159 0.87 ALDH1A1 (1.00) ALDH1A1KDM4EHRH3MAPTCRHBP
SCHEMBL21163109 0.85 ALDH1A1 (0.73) ALDH1A1KDM4EHRH3MAPTCRHBP
SCHEMBL16254918 0.85 ALDH1A1 (0.73) ALDH1A1KDM4EHRH3MAPTCRHBP
SCHEMBL3225452 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHRH3MAPTCRHBP
SCHEMBL18779478 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHRH3MAPTCRHBP
SCHEMBL30596558 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHRH3MAPTCRHBP
SCHEMBL6694425 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHRH3MAPTCRHBP

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 12 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
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
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 ALDH1A1 3283/4885KDM4E 2806/4885HRH3 11/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 ALDH1A1 3363/4885KDM4E 2968/4885HRH3 11/4885

“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.