SCHEMBL13301968

SCHEMBL13301968

CC(C)(C)C(=O)C(N)Cc1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.62
TAAR1 Q96RJ0 3/20 0.53
SLC6A2 P23975 1/20 0.53
ESR1 P03372 3/20 0.50
ESR2 Q92731 2/20 0.50
HDAC8 Q9BY41 2/20 0.48
BLM P54132 1/20 0.46
LNPEP Q9UIQ6 3/20 0.45
ERAP2 Q6P179 2/20 0.45

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
SCHEMBL16501755 1.00 SLC7A5 (0.62) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL12194007 0.86 SLC7A5 (0.44) SLC7A5
SCHEMBL26778041 0.86 SLC7A5 (0.44) SLC7A5
SCHEMBL19733553 0.86 EPHX1 (0.50) SLC7A5ESR1BLM
SCHEMBL23637759 0.85 TAAR1 (0.58) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL12194019 0.84 MME (0.47) SLC7A5
SCHEMBL19733556 0.84 TP53 (0.53) SLC7A5ERAP2
SCHEMBL12194021 0.84 TP53 (0.53) SLC7A5ERAP2
SCHEMBL10057903 0.84 ALPI (0.63) SLC7A5TAAR1SLC6A2HDAC8
SCHEMBL12420357 0.84 ALPI (0.63) SLC7A5TAAR1SLC6A2HDAC8

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-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230330254-A1 ANTI-GLP1R ANTIBODY-TETHERED DRUG CONJUGATES COMPRISING GLP1 PEPTIDOMIMETICS AND USES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2023-10-19 US disclosed
US-20230330254-A1 ANTI-GLP1R ANTIBODY-TETHERED DRUG CONJUGATES COMPRISING GLP1 PEPTIDOMIMETICS AND USES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2023-10-19 US disclosed
US-20100144655-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-06-10 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-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF GRIN1, GRIN3A, GRIN2C SLC7A5 1146/4885TAAR1 218/4885SLC6A2 328/4885
US-20100144655-A1 ORGANIC COMPOUNDS OAT, MAVS, HAVCR2 SLC7A5 1522/4885TAAR1 3692/4885SLC6A2 2956/4885
US-20230330254-A1 ANTI-GLP1R ANTIBODY-TETHERED DRUG CONJUGATES COMPRISING GLP1 PEPTIDOMIMETICS AND USES THEREOF GLP1R, GIPR, GCGR SLC7A5 1362/4885TAAR1 695/4885SLC6A2 2528/4885

“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.