SCHEMBL1935161

SCHEMBL1935161

CNCCc1ccc(C2=NCCN2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 14/20 0.69
HTR1D P28221 1/20 0.51
ADRA1A P35348 1/20 0.51
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50
TOP2A P11388 2/20 0.49
TOP2B Q02880 2/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 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
Hydrochloric Acid SCHEMBL2239536 0.98 NISCH (0.68) NISCHHTR1DADRA1ALMNARECQL
Hydrochloric Acid SCHEMBL1935805 0.98 NISCH (0.68) NISCHHTR1DADRA1ALMNARECQL
Hydrochloric Acid SCHEMBL15514269 0.98 NISCH (0.68) NISCHHTR1DADRA1ALMNARECQL
SCHEMBL2242209 0.84 NISCH (0.68) NISCHHTR1DADRA1ALMNARECQL
Hydrochloric Acid SCHEMBL15514136 0.83 NISCH (0.66) NISCHHTR1DADRA1ALMNARECQL
Hydrochloric Acid SCHEMBL2240002 0.83 NISCH (0.66) NISCHHTR1DADRA1ALMNARECQL
Hydrochloric Acid SCHEMBL2238276 0.83 NISCH (0.66) NISCHHTR1DADRA1ALMNARECQL
SCHEMBL1936166 0.80 NISCH (0.58) NISCHLMNARECQL
SCHEMBL4706553 0.79 NISCH (0.71) NISCHHTR1DADRA1ALMNARECQL
SCHEMBL3532945 0.79 NISCH (0.71) NISCHHTR1DADRA1ALMNARECQL

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 NISCH 337/4885HTR1D 271/4885ADRA1A 48/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NISCH 317/4885HTR1D 242/4885ADRA1A 43/4885

“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.