SCHEMBL961492

SCHEMBL961492

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.47
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL966396 1.00 HSD11B1 (0.47) HSD11B1SMN1; SMN2KMT2AKDM4EMEN1
Trifluoroacetic Acid SCHEMBL1006153 0.91 HSD11B1 (0.40) HSD11B1KMT2AKDM4EMEN1LMNA
SCHEMBL12915091 0.83 HSD11B1 (0.49) HSD11B1KMT2AKDM4EMEN1LMNA
SCHEMBL12915107 0.83 HSD11B1 (0.49) HSD11B1KMT2AKDM4EMEN1LMNA
SCHEMBL963349 0.82 HPGD (0.39) HSD11B1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL960871 0.82 HPGD (0.39) HSD11B1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL961417 0.80 HPGD (0.42) HSD11B1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL965189 0.80 HPGD (0.42) HSD11B1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL12915101 0.80 EPHX2 (0.33) HSD11B1SMN1; SMN2LMNAALDH1A1
Hydrochloric Acid SCHEMBL16669390 0.79 HPGD (0.41) HSD11B1SMN1; SMN2KMT2AMEN1LMNA

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 12 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
US-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-04-30 US disclosed
US-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-04-30 US disclosed
US-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-04-30 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-2013160810-A2 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2013-10-31 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 (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-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS BET1, PGGT1B, RABGGTB HSD11B1 1955/4885SMN1; SMN2 4819/4885KMT2A 4174/4885
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS MAVS, IRF3, LSS HSD11B1 115/4885SMN1; SMN2 3970/4885KMT2A 4391/4885

“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.