SCHEMBL16819996

SCHEMBL16819996

O=C(Nc1cc(F)ccc1OC(F)(F)F)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.51
▸ NCOR2 Q9Y618 3/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ CFD P00746 1/20 0.50
▸ LTB4R Q15722 1/20 0.50
▸ DEGS1 O15121 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ LPAR2 Q9HBW0 1/20 0.44

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
SCHEMBL16820011 1.00 HDAC3 (0.51) HDAC3NCOR2HDAC1HDAC2CFD
SCHEMBL16819997 0.85 ROCK2 (0.43) HDAC3NCOR2HDAC1HDAC2CFD
SCHEMBL16819970 0.85 ROCK2 (0.43) HDAC3NCOR2HDAC1HDAC2CFD
SCHEMBL20707771 0.78 KMT2A (0.46) HDAC3HDAC1HDAC2GAA
SCHEMBL16845375 0.78 MEN1 (0.42) ALDH1A1LMNAGAAHTT
SCHEMBL16819994 0.78 MEN1 (0.42) ALDH1A1LMNAGAAHTT
SCHEMBL9607119 0.77 LTB4R (0.48) LTB4RDEGS1ALDH1A1NAMPTLMNA
SCHEMBL15560342 0.73 DEGS1 (0.76) HDAC3NCOR2HDAC1HDAC2DEGS1
SCHEMBL20707736 0.73 DEGS1 (0.76) HDAC3NCOR2HDAC1HDAC2DEGS1
SCHEMBL16845366 0.73 DEGS1 (0.76) HDAC3NCOR2HDAC1HDAC2DEGS1

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 8 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-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 HDAC3 467/4885NCOR2 1558/4885HDAC1 595/4885
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I CHRNA7, CHRNA6, CHRNA5 HDAC3 1096/4885NCOR2 1847/4885HDAC1 1852/4885

“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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