SCHEMBL15617682

SCHEMBL15617682

CC(C)(C)C(=O)NCC1(O)CCC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
P2RX7 Q99572 14/20 0.34
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
POLB P06746 1/20 0.32
CNR2 P34972 2/20 0.32

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
SCHEMBL20462573 0.92 POLB (0.33) BRD4P2RX7PREPFAPPOLB
SCHEMBL20462571 0.80 OPRM1 (0.33) PREPFAPPOLB
SCHEMBL20464429 0.78 ADA (0.35) POLB
SCHEMBL15617686 0.77 HPGD (0.37) BRD4P2RX7
SCHEMBL15932513 0.77 ALDH1A1 (0.39) BRD4P2RX7
SCHEMBL28519612 0.76 HCRTR2 (0.43) BRD4
SCHEMBL20462570 0.75 OPRM1 (0.38) PREPFAPPOLB
SCHEMBL2839974 0.74 P2RX7 (0.35) P2RX7PREPFAPPOLB
SCHEMBL19124383 0.74 LMNA (0.37) BRD4P2RX7
SCHEMBL28521208 0.74 P2RX7 (0.39) BRD4P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
US-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2018-08-09 US disclosed
US-8680090-B2 Sulfonyl containing benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-25 US disclosed
US-20140011799-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 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 (4 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-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA BRD4 966/4885P2RX7 98/4885PREP 4053/4885
US-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 BRD4 83/4885P2RX7 4812/4885PREP 3851/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP BRD4 55/4885P2RX7 4802/4885PREP 3626/4885
US-20140011799-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE BRD4 641/4885P2RX7 2482/4885PREP 1064/4885

“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.