SCHEMBL18355372

SCHEMBL18355372

CC(C)(C)Oc1cccc2c1NCCC2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.56
PARP1 P09874 1/20 0.38
SLC13A5 Q86YT5 1/20 0.34
REN P00797 1/20 0.34
F2 P00734 1/20 0.33
KCNH2 Q12809 1/20 0.32
PNMT P11086 2/20 0.31

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
SCHEMBL10912135 0.84 SRC (0.56) SRCPARP1SLC13A5REN
SCHEMBL2333682 0.81 SRC (0.60) SRCPARP1RENPNMT
SCHEMBL10911476 0.77 SRC (0.56) SRCPARP1REN
SCHEMBL10909385 0.77 SRC (0.56) SRCPARP1REN
SCHEMBL7029485 0.76 SRC (0.58) SRCPARP1SLC13A5RENF2
SCHEMBL10912802 0.76 SRC (0.46) SRCPARP1SLC13A5F2
SCHEMBL28092163 0.75 SRC (0.61) SRCPARP1SLC13A5
SCHEMBL9829116 0.75 SRC (0.54) SRCPARP1SLC13A5RENF2
SCHEMBL10913727 0.74 SRC (0.56) SRCPARP1SLC13A5RENKCNH2
SCHEMBL9829123 0.74 SRC (0.56) SRCPARP1RENF2

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-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 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-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 SRC 4285/4885PARP1 207/4885SLC13A5 1027/4885

“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.