SCHEMBL2237516

SCHEMBL2237516

NCCc1ccc(C2=N[C@@H]3CCCC[C@H]3N2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.59
TOP2B Q02880 2/20 0.59
MAOB P27338 6/20 0.36
AKT2 P31751 2/20 0.35
BACE1 P56817 2/20 0.35
NUDT1 P36639 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
ADRA2A P08913 2/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
LMNA P02545 1/20 0.33
TAAR1 Q96RJ0 5/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL14029046 0.84 TOP2A (0.78) TOP2ATOP2BNPC1TP53RAB9A
SCHEMBL15402084 0.78 TOP2A (0.51) TOP2ATOP2BNPC1TP53RAB9A
SCHEMBL14153121 0.77 TOP2A (0.68) TOP2ATOP2BNPC1TP53RAB9A
SCHEMBL549309 0.75 TOP2A (1.00) TOP2ATOP2BNPC1TP53RAB9A
SCHEMBL1936814 0.74 TOP2A (0.46) TOP2ATOP2BNPC1TP53RAB9A
Hydrochloric Acid SCHEMBL7724236 0.74 TOP2A (1.00) TOP2ATOP2BNPC1TP53RAB9A
SCHEMBL9114197 0.74 TOP2A (0.58) TOP2ATOP2BNPC1TP53RAB9A
SCHEMBL9113764 0.74 TOP2A (0.58) TOP2ATOP2BNPC1TP53RAB9A
Hydrochloric Acid SCHEMBL11547564 0.72 TOP2A (0.59) TOP2ATOP2BNPC1TP53RAB9A
SCHEMBL12346612 0.72 TOP2A (0.45) TOP2ATOP2BNPC1TP53RAB9A

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 3 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

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 TOP2A 4511/4885TOP2B 2946/4885MAOB 176/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 TOP2A 4558/4885TOP2B 3251/4885MAOB 218/4885

“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.