SCHEMBL1935272

SCHEMBL1935272

NCc1ccc(CN2CCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 2/20 0.76
CHKA P35790 2/20 0.76
NCF1 P14598 2/20 0.76
CA2 P00918 1/20 0.76
HRH3 Q9Y5N1 3/20 0.67
ALDH1A1 P00352 3/20 0.61
HRH4 Q9H3N8 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
KDM4E B2RXH2 1/20 0.57
CXCR4 P61073 3/20 0.55
MBTD1 Q05BQ5 1/20 0.55
L3MBTL3 Q96JM7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2C P18825 1/20 0.50
CCR2 P41597 1/20 0.50
CXCL12 P48061 1/20 0.50

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 SCHEMBL1935642 0.98 NCF1 (0.73) PRMT6CHKANCF1CA2HRH3
SCHEMBL111330 0.95 HRH3 (0.74) PRMT6CHKANCF1CA2HRH3
SCHEMBL109000 0.93 HRH3 (0.78) PRMT6CHKANCF1CA2HRH3
SCHEMBL1934733 0.93 HRH3 (0.78) PRMT6CHKANCF1CA2HRH3
Hydrochloric Acid SCHEMBL1935722 0.91 HRH3 (0.75) PRMT6CHKANCF1CA2HRH3
SCHEMBL24564964 0.91 PRMT6 (0.69) PRMT6CHKANCF1CA2HRH3
SCHEMBL12614113 0.90 HRH3 (0.77) PRMT6CHKANCF1CA2HRH3
SCHEMBL110133 0.87 CHKA (1.00) PRMT6CHKANCF1CA2KDM4E
Benzylamine SCHEMBL16584747 0.84 PRMT6 (0.73) PRMT6CHKANCF1CA2HRH3
SCHEMBL30364132 0.84 PRMT6 (0.93) PRMT6CHKANCF1CA2HRH3

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 PRMT6 2672/4885CHKA 1361/4885NCF1 1517/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 PRMT6 2650/4885CHKA 1183/4885NCF1 1606/4885

“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.