SCHEMBL962486

SCHEMBL962486

CCN1CCN(C(=O)[C@@H]2CC(N(Cc3ccccc3)C(=O)O)C2(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.51
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.45
CHRM1 P11229 2/20 0.44
OPRM1 P35372 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
RAB9A P51151 1/20 0.41
KDM1A O60341 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL962485 1.00 HSD11B1 (0.51) HSD11B1KMT2AMEN1LMNAKDM4E
SCHEMBL962823 0.90 MEN1 (0.42) KMT2AMEN1LMNAKDM4EOPRM1
SCHEMBL963061 0.88 KMT2A (0.41) KMT2AMEN1LMNAKDM4EOPRM1
SCHEMBL962557 0.86 ALDH1A1 (0.48) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL965719 0.79 LMNA (0.43) KMT2AMEN1LMNAOPRM1RAB9A
SCHEMBL17044870 0.78 CTSD (0.42) KMT2AMEN1LMNAOPRM1RAB9A
SCHEMBL964784 0.76 HSD11B1 (0.42) HSD11B1KMT2AMEN1LMNAKDM4E
SCHEMBL964786 0.76 HSD11B1 (0.42) HSD11B1KMT2AMEN1LMNAKDM4E
SCHEMBL15362834 0.73 KDM4E (0.44) HSD11B1KMT2AMEN1LMNAKDM4E
SCHEMBL17044862 0.71 CTSD (0.43) KMT2AMEN1LMNAOPRM1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSD11B1 115/4885KMT2A 4391/4885MEN1 3268/4885

“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.