SCHEMBL15425872

SCHEMBL15425872

CC1CC2CCC[C@@H](C1)N2Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
USP2 O75604 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM5 P08912 1/20 0.54
LMNA P02545 1/20 0.53
OPRK1 P41145 3/20 0.53
ALDH1A1 P00352 3/20 0.50
ACHE P22303 1/20 0.50
PLA2G1B P04054 1/20 0.50
ALPL P05186 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
HTR3A P46098 1/20 0.46

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
SCHEMBL15425876 1.00 KMT2A (0.54) KMT2AL3MBTL1USP2CHRM2CHRM4
SCHEMBL15014563 0.93 CHRM2 (0.58) KMT2AL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL4530898 0.93 CHRM2 (0.58) KMT2AL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL4870895 0.85 CHRM2 (0.60) KMT2AL3MBTL1USP2CHRM2CHRM4
SCHEMBL1723411 0.83 CHRM2 (0.58) KMT2AL3MBTL1USP2CHRM2CHRM4
Ammonia Solution, Strong SCHEMBL8187341 0.83 CHRM2 (0.58) KMT2AL3MBTL1USP2CHRM2CHRM4
SCHEMBL5728905 0.83 CHRM2 (0.58) KMT2AL3MBTL1USP2CHRM2CHRM4
SCHEMBL12463216 0.83 OPRK1 (0.45) KMT2AL3MBTL1USP2LMNAOPRK1
SCHEMBL19223462 0.83 HRH3 (0.64) ACHEALPL
SCHEMBL18924952 0.83 OPRK1 (0.54) L3MBTL1OPRK1ALDH1A1PLA2G1BALPL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732105-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-08-15 US disclosed
US-20160068556-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-03-10 US disclosed
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 (2 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 2669/4885USP2 653/4885
US-20160068556-A1 TARGETED NITROXIDE AGENTS NOXO1, NOX1, TPX2 KMT2A 2011/4885L3MBTL1 2669/4885USP2 653/4885

“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.