SCHEMBL963315

SCHEMBL963315

CC1(C)[C@H](N)C[C@@H]1C(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.38
MAPK1 P28482 2/20 0.38
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
PKM P14618 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL963608 1.00 ALDH1A1 (0.50) ALDH1A1NPSR1L3MBTL1MAPTGAA
SCHEMBL960871 0.84 HPGD (0.39) ALDH1A1NPSR1L3MBTL1SMN1; SMN2LMNA
SCHEMBL963349 0.84 HPGD (0.39) ALDH1A1NPSR1L3MBTL1SMN1; SMN2LMNA
SCHEMBL965189 0.83 HPGD (0.42) ALDH1A1L3MBTL1SMN1; SMN2TSHRLMNA
SCHEMBL961417 0.83 HPGD (0.42) ALDH1A1L3MBTL1SMN1; SMN2TSHRLMNA
SCHEMBL12915000 0.81 ALDH1A1 (0.51) ALDH1A1NPSR1L3MBTL1MAPTGAA
SCHEMBL12915012 0.81 ALDH1A1 (0.51) ALDH1A1NPSR1L3MBTL1MAPTGAA
Hydrochloric Acid SCHEMBL16669390 0.81 HPGD (0.41) ALDH1A1L3MBTL1SMN1; SMN2TSHRLMNA
SCHEMBL966396 0.78 HSD11B1 (0.47) ALDH1A1SMN1; SMN2LMNAHPGDHRH3
SCHEMBL961492 0.78 HSD11B1 (0.47) ALDH1A1SMN1; SMN2LMNAHPGDHRH3

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 8 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
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 ALDH1A1 4653/4885NPSR1 2447/4885L3MBTL1 1560/4885

“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.