SCHEMBL963074

SCHEMBL963074

CCN1CCN(C[C@H]2CC[C@@H](N)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
ACHE P22303 1/20 0.33
CPB1 P15086 1/20 0.33
CPB2 Q96IY4 1/20 0.33
HSD11B1 P28845 4/20 0.33
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAD52 P43351 1/20 0.31
GFER P55789 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 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
SCHEMBL16863956 1.00 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2CHRM5ADRA2C
SCHEMBL18412500 0.89 CHRM5 (0.39) KDM4EALDH1A1SMN1; SMN2CHRM5ADRA2C
SCHEMBL21254070 0.85 NCF1 (0.38) ALDH1A1CHRM5ADRA2CACHEGNAI3
SCHEMBL3477990 0.81 CHRM5 (0.48) KDM4EALDH1A1SMN1; SMN2CHRM5ADRA2C
SCHEMBL28616166 0.80 CHRM5 (0.56) SMN1; SMN2CHRM5ADRA2CACHEMAPT
SCHEMBL12950190 0.78 ACHE (0.42) KDM4EALDH1A1SMN1; SMN2CHRM5ADRA2C
SCHEMBL962458 0.77 HRH3 (0.38) KDM4EALDH1A1SMN1; SMN2CHRM5ADRA2C
SCHEMBL21254189 0.77 CNR1 (0.34) SMN1; SMN2CHRM5ADRA2CRAD52
SCHEMBL12915042 0.77 HRH3 (0.38) KDM4EALDH1A1SMN1; SMN2CHRM5ADRA2C
SCHEMBL965292 0.77 HRH3 (0.38) KDM4EALDH1A1SMN1; SMN2CHRM5ADRA2C

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 KDM4E 3378/4885ALDH1A1 4653/4885SMN1; 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.