SCHEMBL963349

SCHEMBL963349

CC1(C)[C@H](N)C[C@@H]1C(=O)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
HSD11B1 P28845 3/20 0.38
DPP4 P27487 2/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAOA P21397 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
BPTF Q12830 1/20 0.33

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
SCHEMBL960871 1.00 HPGD (0.39) HPGDHSD11B1DPP4CHRNB2CHRNA3
SCHEMBL965189 0.98 HPGD (0.42) HPGDHSD11B1DPP4CHRNB2CHRNA3
SCHEMBL961417 0.98 HPGD (0.42) HPGDHSD11B1DPP4CHRNB2CHRNA3
Hydrochloric Acid SCHEMBL16669390 0.96 HPGD (0.41) HPGDHSD11B1DPP4CHRNB2CHRNA3
SCHEMBL963315 0.84 ALDH1A1 (0.50) HPGDL3MBTL1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL963608 0.84 ALDH1A1 (0.50) HPGDL3MBTL1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL966396 0.82 HSD11B1 (0.47) HPGDHSD11B1MEN1KMT2ASMN1; SMN2
SCHEMBL961492 0.82 HSD11B1 (0.47) HPGDHSD11B1MEN1KMT2ASMN1; SMN2
SCHEMBL12915101 0.80 EPHX2 (0.33) HSD11B1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL12915166 0.79 HPGD (0.41) HPGDHSD11B1DPP4CHRNB2CHRNA3

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 9 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
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
WO-2011007230-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 WO disclosed
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 US disclosed
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 US 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 HPGD 2521/4885HSD11B1 115/4885DPP4 666/4885

“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.