SCHEMBL16820015

SCHEMBL16820015

CC1(C)C(C(=O)Nc2cc(OC(F)(F)F)ccc2F)C1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.42
▸ BRAF P15056 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RIPK1 Q13546 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ IGF2BP2 Q9Y6M1 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ SLC9A1 P19634 1/20 0.38

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
SCHEMBL16845374 1.00 KDR (0.42) KDRBRAFMAPTHTTLMNA
SCHEMBL20707879 0.89 KDR (0.41) KDRBRAFRIPK1MEN1KMT2A
SCHEMBL18938232 0.87 MEN1 (0.51) MAPTHTTLMNAHPGDCYP1A2
SCHEMBL18919031 0.86 CA2 (0.43) KDRBRAFSLC9A1
SCHEMBL16845423 0.86 CA2 (0.43) KDRBRAFSLC9A1
SCHEMBL16845375 0.81 MEN1 (0.42) MAPTHTTLMNAHPGDCYP1A2
SCHEMBL16819994 0.81 MEN1 (0.42) MAPTHTTLMNAHPGDCYP1A2
SCHEMBL20707888 0.78 RIPK1 (0.53) KDRBRAFRIPK1MEN1KMT2A
SCHEMBL16820021 0.77 HTT (0.54) MAPTHTTLMNAHPGDCYP1A2
SCHEMBL16819940 0.77 HTT (0.54) MAPTHTTLMNAHPGDCYP1A2

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 KDR 3811/4885BRAF 4692/4885MAPT 1141/4885
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I CHRNA7, CHRNA6, CHRNA5 KDR 3065/4885BRAF 4822/4885MAPT 750/4885

“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