SCHEMBL16819973

SCHEMBL16819973

O=C1OC[C@H](Cc2ccccc2)N1C(=O)[C@H]1C[C@@H]1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.42
NAAA Q02083 1/20 0.42
HRH3 Q9Y5N1 10/20 0.42
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
HDAC4 P56524 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL18919020 1.00 SIGMAR1 (0.42) SIGMAR1NAAAHRH3CSNK2BCSNK2A1
SCHEMBL16819922 1.00 SIGMAR1 (0.42) SIGMAR1NAAAHRH3CSNK2BCSNK2A1
SCHEMBL18927361 1.00 SIGMAR1 (0.42) SIGMAR1NAAAHRH3CSNK2BCSNK2A1
SCHEMBL16819921 1.00 SIGMAR1 (0.42) SIGMAR1NAAAHRH3CSNK2BCSNK2A1
SCHEMBL15196729 0.90 NAAA (0.39) NAAAHRH3CSNK2BCSNK2A1ALDH1A1
SCHEMBL13671199 0.86 BACE1 (0.47) NAAACSNK2BCSNK2A1
SCHEMBL14376328 0.86 BACE1 (0.47) NAAACSNK2BCSNK2A1
SCHEMBL23924119 0.85 CSNK2B (0.38) NAAACSNK2BCSNK2A1
SCHEMBL23924230 0.85 CSNK2B (0.38) NAAACSNK2BCSNK2A1
SCHEMBL7836904 0.84 RORC (0.47) SIGMAR1CSNK2BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888229-B1 alpha7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-02-06 EP disclosed
EP-2888229-B1 alpha7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-02-06 EP disclosed
US-9790173-B2 Alpha-7 nicotinic acetylcholine receptor modulators and uses thereof-I MERCK SHARP & DOHME CORP. (US) 2017-10-17 US disclosed
US-9790173-B2 Alpha-7 nicotinic acetylcholine receptor modulators and uses thereof-I MERCK SHARP & DOHME CORP. (US) 2017-10-17 US disclosed
US-9790173-B2 Alpha-7 nicotinic acetylcholine receptor modulators and uses thereof-I MERCK SHARP & DOHME CORP. (US) 2017-10-17 US disclosed
US-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I MERCK SHARP & DOHME CORP. (US) 2017-06-08 US disclosed
US-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I MERCK SHARP & DOHME CORP. (US) 2017-06-08 US disclosed
US-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I MERCK SHARP & DOHME CORP. (US) 2017-06-08 US disclosed
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I MERCK SHARP & DOHME CORP. 2015-06-25 US disclosed
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I MERCK SHARP & DOHME CORP. 2015-06-25 US disclosed
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I MERCK SHARP & DOHME CORP. 2015-06-25 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 (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-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I CHRNA7, CHRNA5, CHRNA6 SIGMAR1 171/4885NAAA 1057/4885HRH3 538/4885
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I CHRNA7, CHRNA6, CHRNA5 SIGMAR1 393/4885NAAA 2160/4885HRH3 684/4885

“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.