SCHEMBL12437191

SCHEMBL12437191

CN(C)C1(CC(C)(C)C)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
KMT2A Q03164 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
USP2 O75604 1/20 0.33
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
TP53 P04637 2/20 0.30
THRB P10828 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL22967920 0.98 LMNA (0.35) LMNAKMT2AOPRM1OPRD1USP2
SCHEMBL15925055 0.93 LMNA (0.32) LMNA
SCHEMBL22967421 0.87 OPRM1 (0.31) OPRM1
SCHEMBL13504006 0.76 KDM4E (0.32) KDM4E
SCHEMBL10078318 0.72 LMNA (0.46) LMNAKMT2AOPRM1OPRD1USP2
SCHEMBL24364077 0.71
SCHEMBL13504077 0.71
SCHEMBL2448702 0.70 LMNA (0.40) LMNAKMT2AOPRM1OPRD1USP2
SCHEMBL5015978 0.70 LMNA (0.40) LMNAKMT2AOPRM1OPRD1USP2
SCHEMBL5017464 0.70 LMNA (0.40) LMNAKMT2AOPRM1OPRD1USP2

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-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-02-11 US disclosed
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 US disclosed
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 US disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 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 (4 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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF TP53, BCOR, HPGDS LMNA 3158/4885KMT2A 1723/4885OPRM1 3986/4885
US-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC LMNA 3937/4885KMT2A 3115/4885OPRM1 4114/4885
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD LMNA 2809/4885KMT2A 2446/4885OPRM1 2073/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD LMNA 2809/4885KMT2A 2446/4885OPRM1 2073/4885

“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.