SCHEMBL12356709

SCHEMBL12356709

CCNc1ccc2c(NCC)cccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.51
CACNA1C Q13936 2/20 0.41
SCN5A Q14524 2/20 0.41
KCNH2 Q12809 1/20 0.41
SLC2A1 P11166 1/20 0.40
ELANE P08246 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM5 P41594 1/20 0.39
IDO1 P14902 1/20 0.39
P2RX7 Q99572 2/20 0.38
APP P05067 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL13040630 0.90 NCF1 (0.49) NCF1CACNA1CSCN5AKCNH2SLC2A1
SCHEMBL13040635 0.84 KEAP1 (0.49) NCF1CACNA1CSCN5AKCNH2P2RX7
SCHEMBL12356708 0.84 MEN1 (0.54) NCF1MEN1POLBMAPTKMT2A
SCHEMBL16303304 0.83 NR3C1 (0.49) NCF1MEN1POLBKMT2AGRM5
SCHEMBL12356715 0.82 NCF1 (0.44) NCF1CACNA1CSCN5AKCNH2ELANE
SCHEMBL12356704 0.81 NCF1 (0.50) NCF1CACNA1CSCN5AKCNH2ELANE
SCHEMBL12356730 0.81 NCF1 (0.50) NCF1CACNA1CSCN5AKCNH2ELANE
SCHEMBL12356706 0.81 NCF1 (0.56) NCF1CACNA1CSCN5AKCNH2ELANE
SCHEMBL12356714 0.80 NCF1 (0.42) NCF1CACNA1CSCN5AKCNH2POLB
SCHEMBL12356718 0.80 CACNA1C (0.50) NCF1CACNA1CSCN5AKCNH2ELANE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989628-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 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 (1 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-20090227628-A1 2-AMINOQUINOLINES HTR5A, HTR1A, HTR1E NCF1 2971/4885CACNA1C 818/4885SCN5A 64/4885

“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.