SCHEMBL16845366

SCHEMBL16845366

O=C(Nc1ccc(F)cc1)[C@H]1C[C@@H]1c1ccccc1

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
SCHEMBL20707736 1.00 DEGS1 (0.76) DEGS1ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL15560342 1.00 DEGS1 (0.76) DEGS1ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL15706299 0.89 DEGS1 (0.82) DEGS1ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL20284026 0.87 DEGS1 (0.74) DEGS1ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL21522275 0.86 DEGS1 (1.00) DEGS1ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL20284448 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-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-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 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.

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