SCHEMBL4133609

SCHEMBL4133609

CC[C@]1(C(=O)O)CCC[C@@H](NC)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
ARG2 P78540 2/20 0.31
ARG1 P05089 1/20 0.31
MME P08473 2/20 0.30
ALDH1A1 P00352 2/20 0.30
EPHX1 P07099 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CETP P11597 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
SCHEMBL22576437 0.77 CYP2C19 (0.38) CYP2C19CYP1A2LMNAARG1ALDH1A1
SCHEMBL13464472 0.77 CYP1A2 (0.51) CYP2C19CYP1A2ARG1ALDH1A1KDM4E
SCHEMBL11412763 0.76 CYP2C19 (0.42) CYP2C19CYP1A2LMNAALDH1A1KDM4E
SCHEMBL18940910 0.74 FFAR3 (0.41) CYP2C19CYP1A2POLBLMNAARG2
SCHEMBL8021928 0.73 CYP2C19 (0.35) CYP2C19CYP1A2ALDH1A1
SCHEMBL1812100 0.71 CYP2C19 (0.56) CYP2C19CYP1A2LMNAMMEALDH1A1
SCHEMBL1055977 0.71
SCHEMBL13464557 0.70 CYP1A2 (0.43) CYP2C19CYP1A2ALDH1A1
SCHEMBL30186714 0.69 CYP2C19 (0.60) CYP2C19CYP1A2LMNAMMEALDH1A1
SCHEMBL9640977 0.69 CYP2C19 (0.60) CYP2C19CYP1A2LMNAMMEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR CYP2C19 1331/4885CYP1A2 352/4885POLB 2945/4885

“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.