SCHEMBL5528207

SCHEMBL5528207

Cc1cc(N2CCN(c3ccccc3C#N)CC2)c2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.66
ADRB2 P07550 1/20 0.63
ADRB1 P08588 1/20 0.63
HTT P42858 4/20 0.58
MAPK1 P28482 3/20 0.58
LMNA P02545 3/20 0.58
HSD17B10 Q99714 2/20 0.58
USP2 O75604 2/20 0.58
PKM P14618 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
RECQL P46063 1/20 0.55
NPSR1 Q6W5P4 3/20 0.53
TSHR P16473 1/20 0.53
PHGDH O43175 1/20 0.51
PSMD14 O00487 1/20 0.49
APAF1 O14727 1/20 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
SCHEMBL5065450 0.83 NCF1 (0.88) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL6125246 0.81 NCF1 (0.75) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL30511704 0.81 NCF1 (0.97) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL1366345 0.79 NCF1 (0.75) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL23373387 0.78 NCF1 (0.69) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL8229816 0.78 NCF1 (0.76) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL30058969 0.77 NCF1 (1.00) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL899675 0.77 NCF1 (1.00) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL5093588 0.77 NCF1 (1.00) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL900155 0.77 NCF1 (0.82) NCF1ADRB2ADRB1HTTMAPK1

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-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 NCF1 2805/4885ADRB2 635/4885ADRB1 1030/4885

“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.