SCHEMBL14129602

SCHEMBL14129602

NC(=O)C1(N2CCCCC2)CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.79
PARP1 P09874 12/20 0.70
PARP2 Q9UGN5 1/20 0.56
HTR1A P08908 6/20 0.55
HTR7 P34969 5/20 0.55
TSHR P16473 1/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD1 P21728 1/20 0.51
TBXA2R P21731 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
DRD3 P35462 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL9009947 0.91 KDM4E (0.65) KDM4EPARP1PARP2HTR1AHTR7
SCHEMBL12946412 0.85 PARP1 (0.67) KDM4EPARP1PARP2HTR1AHTR7
SCHEMBL31060680 0.84 PARP1 (1.00) PARP1PARP2HTR1AHTR7
SCHEMBL9009935 0.83 PARP1 (0.65) KDM4EPARP1PARP2HTR1AHTR7
SCHEMBL6796265 0.79 PARP1 (0.70) PARP1PARP2HTR1AHTR7
SCHEMBL6795921 0.77 PARP1 (0.70) PARP1PARP2HTR1AHTR7
SCHEMBL30111044 0.76 PARP1 (0.83) PARP1PARP2HTR1AHTR7
SCHEMBL6795915 0.73 PARP1 (0.70) PARP1PARP2HTR1AHTR7
SCHEMBL14981676 0.72 PARP1 (1.00) PARP1PARP2HTR1AHTR7
SCHEMBL9070730 0.72 PARP1 (0.65) PARP1PARP2HTR1AHTR7SLC6A4

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-20080176876-A1 Poly(ADP-ribose)polymerase (PARP); ischemia, reperfusion injuries, neurological disorders, neuroprotectants, sensitizer for chemotherapy or radiotherapy, anticancer JANSSEN PHARMACEUTICA, NV (BE) 2008-07-24 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-20080176876-A1 Poly(ADP-ribose)polymerase (PARP); ischemia, reperfusion injuries, neurological disorders, neuroprotectants, sensitizer for chemotherapy or radiotherapy, anticancer PARP1, PARP2, PARP3 KDM4E 3137/4885PARP1 1/4885PARP2 2/4885

“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.