SCHEMBL17336145

SCHEMBL17336145

c1ccc(COCc2cc3ccncc3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.45
PGR P06401 4/20 0.45
NR3C2 P08235 3/20 0.45
TSHR P16473 1/20 0.43
KDM4C Q9H3R0 1/20 0.40
DAO P14920 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
IKBKB O14920 2/20 0.39
IDO1 P14902 1/20 0.37
MASP2 O00187 1/20 0.36

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
SCHEMBL17336232 0.89 TSHR (0.43) TSHRKDM4CDAOLOXL2HRH4
SCHEMBL4266837 0.82 NR3C1 (0.48) NR3C1PGRNR3C2KDM4CDAO
Ammonia Solution, Strong SCHEMBL4275950 0.81 NR3C1 (0.47) NR3C1PGRNR3C2KDM4CDAO
Hydrochloric Acid SCHEMBL4274052 0.79 NR3C1 (0.46) NR3C1PGRNR3C2KDM4CDAO
SCHEMBL4270694 0.72 SLC6A2 (0.46) NR3C1PGRNR3C2TSHRDAO
SCHEMBL4275946 0.72 TAAR1 (0.49) NR3C1PGRNR3C2DAOMASP2
SCHEMBL12671720 0.72 DAO (0.49) NR3C1PGRNR3C2DAOHRH4
SCHEMBL31558601 0.72 LOXL2 (0.56) NR3C1PGRNR3C2DAOLOXL2
SCHEMBL28757729 0.72 DAO (0.49) NR3C1PGRNR3C2DAOHRH4
SCHEMBL30041114 0.72 DAO (0.53) NR3C1PGRNR3C2DAOHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154974-B1 TRICYCLIC COMPOUNDS AS ALPHA- 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2018-11-14 EP disclosed
US-9796713-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-24 US disclosed
US-9796713-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-24 US disclosed
US-9796713-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-24 US disclosed
US-20170129892-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-11 US disclosed
US-20170129892-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-11 US disclosed
US-20170129892-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-11 US disclosed
EP-3154974-A1 TRICYCLIC COMPOUNDS AS ALPHA- 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2017-04-19 EP disclosed
WO-2015191401-A1 TRICYCLIC COMPOUNDS AS ALPHA- 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-17 WO disclosed
WO-2015191401-A1 TRICYCLIC COMPOUNDS AS ALPHA- 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-17 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 (1 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-20170129892-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA6, CHRNA5 NR3C1 539/4885PGR 841/4885NR3C2 1047/4885

“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.