SCHEMBL16845375

SCHEMBL16845375

CC1(C)[C@@H](C(=O)Nc2cc(F)ccc2OC(F)(F)F)[C@@H]1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 5/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SLC9A1 P19634 1/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ WNT3A P56704 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KCNK3 O14649 1/20 0.35
▸ KCNK9 Q9NPC2 1/20 0.35

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
SCHEMBL16819994 1.00 MEN1 (0.42) MEN1KMT2ALMNAHTTHPGD
SCHEMBL20707735 0.89 MEN1 (0.37) MEN1KMT2ALMNAHTTMAPT
SCHEMBL15559788 0.88 MEN1 (0.51) MEN1KMT2ALMNAHTTHPGD
SCHEMBL16845381 0.88 MEN1 (0.51) MEN1KMT2ALMNAHTTHPGD
SCHEMBL16819939 0.86 MRGPRX1 (0.45) MEN1KMT2ALMNAHTTHPGD
SCHEMBL16845461 0.86 RORC (0.38) MAPT
SCHEMBL16820010 0.86 RORC (0.38) MAPT
SCHEMBL16819989 0.82 HTT (0.58) MEN1KMT2ALMNAHTTHPGD
SCHEMBL20707887 0.82 HTT (0.58) MEN1KMT2ALMNAHTTHPGD
SCHEMBL16819979 0.82 HTT (0.58) MEN1KMT2ALMNAHTTHPGD

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 4 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
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 MEN1 3964/4885KMT2A 2416/4885LMNA 2675/4885
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I CHRNA7, CHRNA6, CHRNA5 MEN1 3873/4885KMT2A 3868/4885LMNA 3119/4885

“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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