SCHEMBL10073907

SCHEMBL10073907

CC1(C#N)CC1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.43
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
GBA1 P04062 1/20 0.38
OTUD7B Q6GQQ9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL10073905 0.83 CTSS (0.41) CTSCKDM4EMAPT
SCHEMBL670182 0.72 CTSC (0.46) CTSCOTUD7BKDM4ELMNAMAPT
SCHEMBL11776789 0.69 GBA1 (0.41) DDB1CRBNGBA1
SCHEMBL12645999 0.67 NOS3 (0.39) CTSCGBA1MAPT
SCHEMBL1558534 0.67 GBA1 (0.48) GBA1KDM4ELMNAMAPT
SCHEMBL6979673 0.67 GBA1 (0.37) DDB1CRBNGBA1
SCHEMBL15010709 0.66
SCHEMBL15008101 0.66
SCHEMBL15009585 0.66
SCHEMBL11393227 0.66 OPRM1 (0.39) CTSCOTUD7B

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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA CTSC 1037/4885DDB1 859/4885CRBN 790/4885

“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.