SCHEMBL15425873

SCHEMBL15425873

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CHRM2 P08172 2/20 0.50
LMNA P02545 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
USP2 O75604 1/20 0.48
ALDH1A1 P00352 2/20 0.47
OPRK1 P41145 3/20 0.47
PLA2G1B P04054 1/20 0.44
ALPL P05186 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
MAPK1 P28482 1/20 0.44
CHRM3 P20309 1/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL911191 1.00 KMT2A (0.51) KMT2AL3MBTL1CHRM2LMNACHRM4
SCHEMBL12902953 1.00 KMT2A (0.51) KMT2AL3MBTL1CHRM2LMNACHRM4
Bromide SCHEMBL9957539 0.98 KMT2A (0.50) KMT2AL3MBTL1CHRM2LMNACHRM4
Hydrochloric Acid SCHEMBL18063 0.98 CHRM2 (0.53) KMT2AL3MBTL1CHRM2LMNACHRM4
SCHEMBL719296 0.93 CHRM2 (0.53) L3MBTL1CHRM2CHRM4CHRM5ALDH1A1
SCHEMBL707808 0.93 CHRM2 (0.53) L3MBTL1CHRM2CHRM4CHRM5ALDH1A1
SCHEMBL19364501 0.93 CHRM2 (0.53) L3MBTL1CHRM2CHRM4CHRM5ALDH1A1
SCHEMBL29691892 0.93 CHRM2 (0.53) L3MBTL1CHRM2CHRM4CHRM5ALDH1A1
SCHEMBL16766368 0.93 CHRM2 (0.53) L3MBTL1CHRM2CHRM4CHRM5ALDH1A1
Hydrochloric Acid SCHEMBL1633577 0.91 CHRM2 (0.56) L3MBTL1CHRM2CHRM4CHRM5ALDH1A1

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 KMT2A 2011/4885L3MBTL1 2669/4885CHRM2 4740/4885

“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.