SCHEMBL15425874

SCHEMBL15425874

C=C1CC2CCC[C@@H](C1)N2Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.50
▸ CHRM4 P08173 1/20 0.50
▸ CHRM5 P08912 1/20 0.50
▸ KMT2A Q03164 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ USP2 O75604 1/20 0.45
▸ OPRK1 P41145 2/20 0.44
▸ SIGMAR1 Q99720 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ PLA2G1B P04054 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL15087021 1.00 CHRM2 (0.50) CHRM2CHRM4CHRM5KMT2AL3MBTL1
SCHEMBL3903429 0.93 CHRM2 (0.53) CHRM2CHRM4CHRM5KMT2AOPRK1
SCHEMBL13604588 0.93 CHRM2 (0.53) CHRM2CHRM4CHRM5KMT2AOPRK1
SCHEMBL4870895 0.85 CHRM2 (0.60) CHRM2CHRM4CHRM5KMT2AL3MBTL1
SCHEMBL1723411 0.83 CHRM2 (0.58) CHRM2CHRM4CHRM5KMT2AL3MBTL1
SCHEMBL5728905 0.83 CHRM2 (0.58) CHRM2CHRM4CHRM5KMT2AL3MBTL1
Ammonia Solution, Strong SCHEMBL8187341 0.83 CHRM2 (0.58) CHRM2CHRM4CHRM5KMT2AL3MBTL1
SCHEMBL12902953 0.83 KMT2A (0.51) CHRM2CHRM4CHRM5KMT2AL3MBTL1
SCHEMBL911191 0.83 KMT2A (0.51) CHRM2CHRM4CHRM5KMT2AL3MBTL1
SCHEMBL15425873 0.83 KMT2A (0.51) CHRM2CHRM4CHRM5KMT2AL3MBTL1

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-20140018317-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-01-16 — — 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-20140018317-A1 TARGETED NITROXIDE AGENTS NOXO1, NOX1, TPX2 CHRM2 4740/4885CHRM4 4625/4885CHRM5 4803/4885

“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.

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