SCHEMBL17008604

SCHEMBL17008604

O=C(O)C1CC2CC2CC1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.50
GABRR2 P28476 1/20 0.42
LMNA P02545 3/20 0.39
SLC1A2 P43004 3/20 0.39
CYP2C19 P33261 2/20 0.39
PMP22 Q01453 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
APEX1 P27695 1/20 0.39
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
GRM4 Q14833 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 2/20 0.38
BLM P54132 2/20 0.38

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
SCHEMBL28696968 1.00 GABRR1 (0.50) GABRR1GABRR2LMNASLC1A2CYP2C19
SCHEMBL21905245 1.00 GABRR1 (0.50) GABRR1GABRR2LMNASLC1A2CYP2C19
SCHEMBL20072849 1.00 GABRR1 (0.50) GABRR1GABRR2LMNASLC1A2CYP2C19
SCHEMBL1819281 0.97 GABRR1 (0.53) GABRR1GABRR2LMNASLC1A2CYP2C19
SCHEMBL16617867 0.89 GABRR1 (0.42) GABRR1GABRR2LMNASLC1A2CYP2C19
SCHEMBL27224128 0.87 GABRR1 (0.50) GABRR1GABRR2LMNASLC1A2CYP2C19
SCHEMBL22656590 0.87 GABRR1 (0.50) GABRR1GABRR2LMNASLC1A2CYP2C19
SCHEMBL109579 0.87 GABRR1 (0.50) GABRR1GABRR2LMNASLC1A2CYP2C19
Hydrochloric Acid SCHEMBL28992700 0.84 GABRR1 (0.48) GABRR1GABRR2LMNASLC1A2CYP2C19
SCHEMBL16618144 0.83 CHRNB2 (0.41) GABRR1CYP2D6TSHRCYP1A2

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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
EP-3104705-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-12-21 EP disclosed
WO-2015123089-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-08-20 WO 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 GABRR1 145/4885GABRR2 206/4885LMNA 1829/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 GABRR1 149/4885GABRR2 201/4885LMNA 1680/4885

“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.