SCHEMBL3367011

SCHEMBL3367011

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.57
▸ TACR1 P25103 2/20 0.56
▸ CCR2 P41597 1/20 0.53
▸ BACE1 P56817 2/20 0.51
▸ MAPK14 Q16539 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MLYCD O95822 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ PLA2G1B P04054 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48

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
SCHEMBL14445119 0.91 TACR1 (0.69) TACR1CCR2
SCHEMBL3369040 0.86 TACR1 (0.58) BCHETACR1CCR2BACE1MAPK14
SCHEMBL27684529 0.84 CCR2 (0.56) BCHETACR1CCR2BACE1MAPK14
SCHEMBL14445038 0.80 CCR2 (0.62) TACR1CCR2
SCHEMBL3370068 0.79 TACR1 (0.64) BCHETACR1BACE1MAPK14MEN1
SCHEMBL3367008 0.79 TACR1 (0.58) BCHETACR1CCR2BACE1MAPK14
SCHEMBL3364548 0.77 BCHE (0.62) BCHETACR1BACE1MAPK14MEN1
SCHEMBL14445128 0.76 CCR2 (0.51) TACR1CCR2POLBCYP2D6
SCHEMBL13103578 0.76 MLYCD (0.59) BCHETACR1MAPK14MEN1CYP1A2
SCHEMBL5016361 0.75 MLYCD (0.55) BCHETACR1MAPK14MEN1CYP1A2

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 BCHE 3983/4885TACR1 949/4885CCR2 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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