SCHEMBL20063747

SCHEMBL20063747

CCN(Cc1ccccc1)[C@H]1CCCC[C@@H]1O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.68
KCNA5 P22460 1/20 0.49
GRIN2B Q13224 1/20 0.44
LTA4H P09960 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
EBP Q15125 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL18386875 0.90 SLC18A3 (0.71) SLC18A3KCNA5LTA4HEBPKDM4E
SCHEMBL10573537 0.90 SLC18A3 (0.71) SLC18A3KCNA5LTA4HEBPKDM4E
SCHEMBL15610808 0.87 SLC18A3 (0.66) SLC18A3KCNA5LTA4HEBPKMT2A
SCHEMBL14873965 0.87 SLC18A3 (0.66) SLC18A3KCNA5LTA4HEBPKMT2A
SCHEMBL15610809 0.87 SLC18A3 (0.66) SLC18A3KCNA5LTA4HEBPKMT2A
SCHEMBL12685154 0.87 SLC18A3 (0.66) SLC18A3KCNA5LTA4HEBPKMT2A
SCHEMBL26879524 0.85 SLC18A3 (0.50) SLC18A3GRIN2BLTA4HL3MBTL1KDM4E
SCHEMBL10511383 0.84 SLC18A3 (0.62) SLC18A3KCNA5LTA4HKDM4EALDH1A1
SCHEMBL25417757 0.81 SLC18A3 (0.62) SLC18A3KCNA5LTA4HEBPALDH1A1
SCHEMBL6391371 0.81 SLC18A3 (1.00) SLC18A3KCNA5LTA4HL3MBTL1EBP

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
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 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
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 SLC18A3 2528/4885KCNA5 146/4885GRIN2B 1312/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SLC18A3 2528/4885KCNA5 146/4885GRIN2B 1312/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SLC18A3 2402/4885KCNA5 160/4885GRIN2B 1237/4885

“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.