SCHEMBL5456645

SCHEMBL5456645

CN1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4NC2CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RB1 P06400 6/20 0.53
PARP1 P09874 5/20 0.49
BRD3 Q15059 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5445797 0.92 RB1 (0.57) RB1PARP1BRD3CNR1CNR2
SCHEMBL5461711 0.92 RB1 (0.57) RB1PARP1BRD3CNR1CNR2
SCHEMBL5459901 0.89 RB1 (0.53) RB1PARP1BRD3CNR1CNR2
SCHEMBL5454070 0.83 RB1 (0.63) RB1BRD3MAPTSMN1; SMN2ALOX15
SCHEMBL5449868 0.82 RB1 (0.60) RB1PARP1BRD3MAPTSMN1; SMN2
SCHEMBL5459696 0.82 RB1 (0.60) RB1BRD3MAPTSMN1; SMN2ALOX15
SCHEMBL5467992 0.82 RB1 (0.62) RB1BRD3MAPTSMN1; SMN2ALOX15
SCHEMBL5458980 0.81 RB1 (0.58) RB1BRD3MAPTSMN1; SMN2ALOX15
SCHEMBL5449883 0.81 RB1 (0.61) RB1BRD3MAPTSMN1; SMN2ALOX15
SCHEMBL5455603 0.81 RB1 (0.57) RB1BRD3MAPTSMN1; SMN2ALOX15

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-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 RB1 1821/4885PARP1 709/4885BRD3 529/4885

“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.