SCHEMBL3369040

SCHEMBL3369040

O=C(O)CC(C(=O)NCc1cccc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.58
▸ BCHE P06276 3/20 0.56
▸ CCR2 P41597 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MAPK14 Q16539 1/20 0.52
▸ MLYCD O95822 1/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ BACE1 P56817 2/20 0.50
▸ PLA2G1B P04054 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL27684529 0.86 CCR2 (0.56) TACR1BCHECCR2L3MBTL1MAPK14
SCHEMBL3367011 0.86 BCHE (0.57) TACR1BCHECCR2L3MBTL1MAPK14
SCHEMBL3364258 0.84 L3MBTL1 (0.57) TACR1BCHEL3MBTL1MAPK14MLYCD
SCHEMBL3364252 0.84 L3MBTL1 (0.57) TACR1BCHEL3MBTL1MAPK14MLYCD
SCHEMBL3370068 0.83 TACR1 (0.64) TACR1BCHEL3MBTL1MAPK14MLYCD
SCHEMBL3367008 0.81 TACR1 (0.58) TACR1BCHECCR2L3MBTL1MAPK14
SCHEMBL13103578 0.78 MLYCD (0.59) TACR1BCHEL3MBTL1MAPK14MLYCD
SCHEMBL5016361 0.77 MLYCD (0.55) TACR1BCHEL3MBTL1MAPK14MLYCD
SCHEMBL30661718 0.77 MLYCD (0.65) L3MBTL1MAPK14MLYCDMEN1CYP1A2
SCHEMBL3364548 0.76 BCHE (0.62) TACR1BCHEL3MBTL1MAPK14MLYCD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators GRUENENTHAL GMBH (DE) 2010-04-29 — — 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 (1 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-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators KCNQ1, KCNQ3, KCNQ2 TACR1 949/4885BCHE 3983/4885CCR2 3820/4885

“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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