SCHEMBL17660269

SCHEMBL17660269

CC(C)CNC(=O)CCCC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
EPHX2 P34913 6/20 0.46
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
RECQL P46063 3/20 0.38
MMP1 P03956 1/20 0.38
MMP8 P22894 1/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL9162003 0.93 HPGD (0.47) HPGDEPHX2CYP2D6CYP2C19RECQL
SCHEMBL9153250 0.93 HPGD (0.47) HPGDEPHX2CYP2D6CYP2C19RECQL
SCHEMBL16473882 0.88 CYP2D6 (0.46) HPGDEPHX2CYP2D6CYP2C19RECQL
SCHEMBL20034806 0.87 EPHX2 (0.47) HPGDEPHX2CYP2D6CYP2C19RECQL
SCHEMBL24891029 0.82 HPGD (0.43) HPGDEPHX2CYP2D6CYP2C19RECQL
SCHEMBL20206734 0.81 CYP2D6 (0.41) HPGDEPHX2CYP2D6CYP2C19RECQL
SCHEMBL24450393 0.81 HPGD (0.38) HPGDEPHX2RECQL
SCHEMBL21015912 0.78 RECQL (0.42) RECQLSMN1; SMN2MAPT
SCHEMBL17664597 0.78 FAAH (0.57) HPGDEPHX2RECQLSMN1; SMN2
SCHEMBL11438194 0.78 RECQL (0.47) HPGDRECQLSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 US disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 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 (3 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN HPGD 3809/4885EPHX2 1940/4885CYP2D6 2165/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN HPGD 3953/4885EPHX2 2154/4885CYP2D6 2300/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN HPGD 3809/4885EPHX2 1940/4885CYP2D6 2165/4885

“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.