SCHEMBL20063360

SCHEMBL20063360

CN1CCC[C@@H]1C(=O)N(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34
UCHL1 P09936 1/20 0.32
BCHE P06276 2/20 0.31
L3MBTL3 Q96JM7 1/20 0.31

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
SCHEMBL20063341 0.89
SCHEMBL20063339 0.89
SCHEMBL20152039 0.89
SCHEMBL8260203 0.81 CYP3A4 (0.41) CYP3A4CYP2D6BCHEL3MBTL3
SCHEMBL15386556 0.81 CYP3A4 (0.41) CYP3A4CYP2D6BCHEL3MBTL3
SCHEMBL3930922 0.81 CYP3A4 (0.41) CYP3A4CYP2D6BCHEL3MBTL3
SCHEMBL1697320 0.78 CYP3A4 (0.35) CYP3A4CYP2D6HSD17B10LMNACYP2C19
SCHEMBL5597367 0.78 CYP3A4 (0.40) CYP3A4CYP2D6BCHEL3MBTL3
SCHEMBL5737327 0.76 HSD17B10 (0.37) CYP3A4CYP2D6HSD17B10LMNA
SCHEMBL14434721 0.76 CYP3A4 (0.37) CYP3A4CYP2D6BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 CYP3A4 675/4885CYP2D6 590/4885HSD17B10 1256/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 CYP3A4 675/4885CYP2D6 590/4885HSD17B10 1256/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 CYP3A4 720/4885CYP2D6 592/4885HSD17B10 1274/4885

“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.