SCHEMBL23720068

SCHEMBL23720068

CCCCCC1CC1(C#N)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
GRM2 Q14416 5/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32

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
SCHEMBL4808314 0.89 MAOB (0.35) SLC6A2SLC6A4OPRM1SLC6A3MAOB
SCHEMBL9347811 0.85 CYP2C19 (0.32) GRM2
SCHEMBL9351158 0.84 HSD17B10 (0.38) SLC6A2SLC6A4OPRM1GRM2SLC6A3
SCHEMBL11133978 0.82 HTR2C (0.36) SLC6A2SLC6A4OPRM1SLC6A3MAOB
SCHEMBL10726987 0.82 SLC6A4 (0.38) SLC6A2SLC6A4OPRM1OPRL1SLC6A3
SCHEMBL9347400 0.82 GRM2 (0.39) GRM2MMP2MMP9MAOBALDH1A1
SCHEMBL9347830 0.81 TSHR (0.34)
SCHEMBL9347709 0.81 HSD17B10 (0.36) SLC6A2SLC6A4GRM2SLC6A3ALDH1A1
SCHEMBL10925862 0.81 SLC6A4 (0.37) SLC6A2SLC6A4OPRM1OPRL1BACE1
SCHEMBL9351600 0.79 GRM2 (0.37) GRM2MAOBALDH1A1

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-20210238133-A1 CYCLOPROPANATION METHOD OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2021-08-05 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-20210238133-A1 CYCLOPROPANATION METHOD ADH1A, ADH1C, ADH5 SLC6A2 2332/4885SLC6A4 1543/4885OPRM1 1425/4885

“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.