SCHEMBL4296370

SCHEMBL4296370

O=C1CC2CN(CCc3ccccc3)CCN2C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.46
SLC6A3 Q01959 1/20 0.45
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
ACHE P22303 1/20 0.43
POLB P06746 1/20 0.43
AGTR2 P50052 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 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
SCHEMBL21919657 0.86 SIGMAR1 (0.49) SMN1; SMN2DRD2SIGMAR1ALDH1A1
SCHEMBL20594570 0.86 SIGMAR1 (0.49) SMN1; SMN2DRD2SIGMAR1ALDH1A1
SCHEMBL6964168 0.77 ACHE (0.47) SLC6A3SIGMAR1ALDH1A1OPRM1OPRD1
SCHEMBL7441175 0.74 SIGMAR1 (0.66) MAPTSLC6A3SIGMAR1ACHE
SCHEMBL20523462 0.73 TACR1 (0.50) SMN1; SMN2DRD2SIGMAR1ALDH1A1
SCHEMBL28394397 0.71 SLC6A3 (0.59) GAAHTTMAPTSLC6A3HTR1A
SCHEMBL6056974 0.71 SLC6A3 (0.83) MAPTSLC6A3HTR1ADRD2SIGMAR1
SCHEMBL14407778 0.71 SLC6A3 (0.83) MAPTSLC6A3HTR1ADRD2SIGMAR1
SCHEMBL13150782 0.71 SLC6A3 (0.83) MAPTSLC6A3HTR1ADRD2SIGMAR1
SCHEMBL7264546 0.71 SLC6A3 (0.83) MAPTSLC6A3HTR1ADRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 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-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS NQO2, QARS1, NQO1 GAA 480/4885MAPK1 3730/4885HTT 3588/4885

“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.