SCHEMBL962458

SCHEMBL962458

N[C@@H]1CC[C@H](CN2CCOCC2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
LRRK2 Q5S007 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
KEAP1 Q14145 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.34
THRB P10828 2/20 0.34
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL965292 1.00 HRH3 (0.38) HRH3LRRK2SMN1; SMN2KEAP1ALDH1A1
SCHEMBL12915042 1.00 HRH3 (0.38) HRH3LRRK2SMN1; SMN2KEAP1ALDH1A1
SCHEMBL1611664 0.88 CHRM5 (0.40) HRH3SMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL4135252 0.88 CHRM5 (0.40) HRH3SMN1; SMN2KEAP1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4126375 0.86 CHRM5 (0.39) HRH3SMN1; SMN2KEAP1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4126371 0.86 CHRM5 (0.39) HRH3SMN1; SMN2KEAP1ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL3908832 0.85 KCNJ1 (0.41) ALDH1A1KDM4ETHRB
SCHEMBL14504676 0.83 HRH3 (0.37) HRH3SMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL7562139 0.81 CHRM5 (0.48) HRH3SMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL14535216 0.81 CHRM5 (0.48) HRH3SMN1; SMN2KEAP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067966-B2 Lupeol-type triterpene derivatives as antivirals HETERO RESEARCH FOUNDATION, HETERO DRUGS LTD. (IN) 2015-06-30 US disclosed
US-9067966-B2 Lupeol-type triterpene derivatives as antivirals HETERO RESEARCH FOUNDATION, HETERO DRUGS LTD. (IN) 2015-06-30 US disclosed
EP-2454270-B1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2015-02-11 EP disclosed
EP-2454270-B1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2015-02-11 EP disclosed
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 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-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS MAVS, IRF3, LSS HRH3 2962/4885LRRK2 350/4885SMN1; SMN2 3970/4885

“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.