SCHEMBL17748964

SCHEMBL17748964

COC(=O)C1CN(c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.63
NR1H3 Q13133 10/20 0.63
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
PTPN1 P18031 1/20 0.41
NOTUM Q6P988 1/20 0.40
FAAH O00519 2/20 0.40

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
SCHEMBL15148025 0.88 NR1H2 (0.72) NR1H2NR1H3GPR119PTPN1
SCHEMBL17749010 0.88 NR1H2 (0.49) NR1H2NR1H3ALDH1A1LMNAMAPT
SCHEMBL21886120 0.88 NR1H2 (0.72) NR1H2NR1H3GPR119PTPN1
SCHEMBL12324594 0.88 NR1H2 (0.72) NR1H2NR1H3GPR119PTPN1
SCHEMBL17754100 0.87 NR1H2 (0.48) NR1H2NR1H3ALDH1A1LMNAMAPT
SCHEMBL25606205 0.86 NR1H2 (0.63) NR1H2NR1H3ALDH1A1LMNAMAPT
SCHEMBL16570088 0.85 MAPT (0.63) NR1H2NR1H3ALDH1A1LMNAMAPT
SCHEMBL29828720 0.84 NR1H2 (0.53) NR1H2NR1H3
SCHEMBL29097213 0.84 NR1H2 (0.53) NR1H2NR1H3
SCHEMBL30172596 0.83 NR1H2 (0.66) NR1H2NR1H3ALDH1A1MAPTNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108613-B Bromodomain inhibitors and uses thereof 基因泰克公司 2020-02-25 CN disclosed
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
EP-3218376-A1 BROMODOMAIN INHIBITORS AND USES THEREOF Genentech, Inc. (US) 2017-09-20 EP disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 WO disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 NR1H2 319/4885NR1H3 268/4885ALDH1A1 1563/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 NR1H2 319/4885NR1H3 268/4885ALDH1A1 1563/4885

“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.