SCHEMBL17336232

SCHEMBL17336232

c1ccc(COCc2cc3cnccc3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
KDM4C Q9H3R0 1/20 0.40
DAO P14920 1/20 0.40
NAMPT P43490 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
F2 P00734 2/20 0.39
IKBKB O14920 2/20 0.39
CHEK1 O14757 2/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
F3 P13726 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL17336145 0.89 NR3C1 (0.45) TSHRLOXL2KDM4CDAOHRH4
SCHEMBL26703893 0.82 F2 (0.50) DAONAMPTHRH3F2PDE3B
SCHEMBL7682150 0.73 LMNA (0.52) NAMPTHRH4
SCHEMBL1161735 0.72 DAO (0.49) DAONAMPTHRH4PDE3BPDE3A
SCHEMBL6066464 0.72 LOXL2 (0.56) LOXL2DAOPDE3BPDE3A
SCHEMBL18643043 0.72 DAO (0.49) DAONAMPTHRH4PDE3BPDE3A
SCHEMBL1161438 0.72 DAO (0.53) DAONAMPTHRH4PDE3BPDE3A
SCHEMBL12330535 0.70 CDC7 (0.54) IKBKBCHEK1F3
Hydrochloric Acid SCHEMBL27140516 0.70 LOXL2 (0.55) LOXL2DAOPDE3BPDE3A
Hydrochloric Acid SCHEMBL27144900 0.70 LOXL2 (0.55) LOXL2DAOPDE3BPDE3A

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 TSHR 262/4885LOXL2 3660/4885KDM4C 3141/4885

“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.