SCHEMBL16819940

SCHEMBL16819940

Cc1cc(F)c(F)cc1NC(=O)[C@H]1[C@H](c2ccccc2)C1(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ HPGD P15428 1/20 0.54
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SLC9A1 P19634 4/20 0.44
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16820021 1.00 HTT (0.54) HTTLMNAHPGDCYP2D6CYP2C9
SCHEMBL16845450 0.92 HTT (0.52) HTTLMNAHPGDCYP2D6CYP2C9
SCHEMBL20707788 0.88 SLC9A1 (0.45) HTTLMNAHPGDCYP2D6CYP2C9
SCHEMBL16819979 0.87 HTT (0.58) HTTLMNAHPGDCYP2D6CYP2C9
SCHEMBL20707887 0.87 HTT (0.58) HTTLMNAHPGDCYP2D6CYP2C9
SCHEMBL16819989 0.87 HTT (0.58) HTTLMNAHPGDCYP2D6CYP2C9
SCHEMBL16819901 0.87 HTT (0.58) HTTLMNAHPGDCYP2D6CYP2C9
SCHEMBL16819975 0.83 CA2 (0.44) HTTSLC9A1ALDH1A1MAPT
SCHEMBL18919029 0.83 CA2 (0.44) HTTSLC9A1ALDH1A1MAPT
SCHEMBL16845445 0.83 CA2 (0.44) HTTSLC9A1ALDH1A1MAPT

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 HTT 1512/4885LMNA 2675/4885HPGD 1269/4885
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I CHRNA7, CHRNA6, CHRNA5 HTT 1039/4885LMNA 3119/4885HPGD 2079/4885

“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.

Send feedback