SCHEMBL15560342

SCHEMBL15560342

O=C(Nc1ccc(F)cc1)C1CC1c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.76
ALDH1A1 P00352 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
NAMPT P43490 2/20 0.69
GAA P10253 2/20 0.69
LMNA P02545 1/20 0.69
HTT P42858 1/20 0.69
HDAC3 O15379 3/20 0.65
NCOR2 Q9Y618 3/20 0.65
HDAC1 Q13547 2/20 0.65
HDAC2 Q92769 2/20 0.65
TCF4 P15884 1/20 0.62
CTNNB1 P35222 1/20 0.62
SCN3A Q9NY46 2/20 0.61
TDP1 Q9NUW8 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
HDAC4 P56524 1/20 0.59
MAPT P10636 2/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL16819976 1.00 DEGS1 (0.76) DEGS1ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL16845366 1.00 DEGS1 (0.76) DEGS1ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL20707736 1.00 DEGS1 (0.76) DEGS1ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL15706299 0.89 DEGS1 (0.82) DEGS1ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL20284026 0.87 DEGS1 (0.74) DEGS1ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL20284448 0.86 DEGS1 (1.00) DEGS1ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL21522275 0.86 DEGS1 (1.00) DEGS1ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL20707779 0.85 HDAC3 (0.60) DEGS1ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL20284312 0.85 GAA (0.57) DEGS1ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL2233174 0.85 DEGS1 (0.76) DEGS1ALDH1A1SMN1; SMN2NAMPTGAA

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 7 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
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
CN-104884432-A Alpha7 nicotinic acetylcholine receptor modulators and uses thereof-I MERCK SHARP & DOHME 2015-09-02 CN disclosed
EP-2888229-A1 alpha7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I Merck Sharp & Dohme Corp. (US) 2015-07-01 EP disclosed
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I MERCK SHARP & DOHME CORP. 2015-06-25 US disclosed
WO-2014019023-A1 α7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I BIONOMICS LIMITED (AU) 2014-02-06 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 (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 DEGS1 1672/4885ALDH1A1 846/4885SMN1; SMN2 547/4885
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I CHRNA7, CHRNA6, CHRNA5 DEGS1 2717/4885ALDH1A1 1762/4885SMN1; SMN2 740/4885

“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.