SCHEMBL16845381

SCHEMBL16845381

COc1ccc(F)cc1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ HTT P42858 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ LMNA P02545 2/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ LTB4R Q15722 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL15559788 1.00 MEN1 (0.51) MEN1KMT2AHTTMAPTLMNA
SCHEMBL16819994 0.88 MEN1 (0.42) MEN1KMT2AHTTMAPTLMNA
SCHEMBL16845375 0.88 MEN1 (0.42) MEN1KMT2AHTTMAPTLMNA
SCHEMBL15442876 0.87 MEN1 (0.54) MEN1KMT2AHTTMAPTLMNA
SCHEMBL15442874 0.87 MEN1 (0.54) MEN1KMT2AHTTMAPTLMNA
SCHEMBL15442878 0.87 MEN1 (0.54) MEN1KMT2AHTTMAPTLMNA
SCHEMBL18938189 0.85 SMN1; SMN2 (0.42) MEN1KMT2AHTTMAPTLMNA
SCHEMBL16819971 0.85 HTT (0.47) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL16845420 0.85 HTT (0.47) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL16845528 0.85 MAPT (0.45) MEN1KMT2AHTTMAPTLMNA

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 2416/4885HTT 1512/4885
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I CHRNA7, CHRNA6, CHRNA5 MEN1 3873/4885KMT2A 3868/4885HTT 1039/4885

“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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