SCHEMBL9976797

SCHEMBL9976797

CC(C)(C)C(=O)CC1CCCCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.46
KMT2A Q03164 3/20 0.42
CYP2D6 P10635 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
MLNR O43193 1/20 0.42
ABCB11 O95342 1/20 0.42
EGFR P00533 1/20 0.42
FYN P06241 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL15745594 0.82 FDPS (0.44) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL156790 0.79 FDPS (0.50) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL5058596 0.79 FDPS (0.50) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL8116639 0.79 FDPS (0.50) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL31318443 0.79 FDPS (0.50) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL24804995 0.78 FDPS (0.53) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL11666395 0.78 FDPS (0.53) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL29515049 0.78 FDPS (0.53) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL465843 0.77 POLB (0.48) KMT2ACYP2D6CYP1A2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4270933 0.77 FDPS (0.49) FDPSKMT2ACYP2D6MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202995-B2 Pharmaceutically acceptable salts of aporphine derivatives and carboxyl group-containing agents and methods for preparing the same STANDARD CHEM. & PHARM. CO., LTD. (TW) 2012-06-19 US disclosed
US-8202995-B2 Pharmaceutically acceptable salts of aporphine derivatives and carboxyl group-containing agents and methods for preparing the same STANDARD CHEM. & PHARM. CO., LTD. (TW) 2012-06-19 US disclosed
US-8093260-B2 Aporphine derivatives and pharmaceutical use thereof STANDARD CHEM. & PHARM. CO., LTD. (TW) 2012-01-10 US disclosed
US-20090318488-A1 Pharmaceutically acceprable salts of aporphine compounds of carboxyl group-containing agents and methods for preparing the same STANDARD CHEM. & PHARM. CO., LTD. (TW) 2009-12-24 US disclosed
US-20090318489-A1 Aporphine compounds and pharmaceutical use thereof STANDARD CHEM. & PHARM. CO., LTD. (TW) 2009-12-24 US disclosed
US-20090318488-A1 Pharmaceutically acceprable salts of aporphine compounds of carboxyl group-containing agents and methods for preparing the same STANDARD CHEM. & PHARM. CO., LTD. (TW) 2009-12-24 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-20090318489-A1 Aporphine compounds and pharmaceutical use thereof IAPP, OPRL1, AGER FDPS 4255/4885KMT2A 4246/4885CYP2D6 551/4885
US-20090318488-A1 Pharmaceutically acceprable salts of aporphine compounds of carboxyl group-containing agents and methods for preparing the same IAPP, GPR119, AMY2A FDPS 3127/4885KMT2A 4360/4885CYP2D6 171/4885

“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.