SCHEMBL17815738

SCHEMBL17815738

COc1cc(C)ccc1NCC1CC(F)(F)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.40
▸ CD274 Q9NZQ7 1/20 0.39
▸ LPAR1 Q92633 12/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL17811822 0.83 ACHE (0.36) ACHECD274TSHRBACE1CYP3A4
SCHEMBL20820440 0.83 ACHE (0.38) ACHECD274LMNAGAAMAPT
SCHEMBL16371989 0.80 CA12 (0.47) LMNAMAPTTSHRMAPK1
SCHEMBL26326796 0.79 NPC1 (0.47) ACHEMAPTTDP1L3MBTL1BACE1
SCHEMBL28320048 0.78 ACHE (0.36) ACHECD274BACE1
SCHEMBL22965291 0.77 KMT2A (0.45) ACHELPAR1LMNABACE1
SCHEMBL17815741 0.75 ACHE (0.49) ACHEGAAMAPTMAPK1TDP1
SCHEMBL14258683 0.73 ACHE (0.52) ACHELPAR1EPHX1LMNAGAA
SCHEMBL17815748 0.72 ACHE (0.38) ACHECD274GAAMAPTMAPK1
SCHEMBL13159618 0.70 ACHE (0.48) ACHELPAR1EPHX1LMNAGAA

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-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED 2016-06-09 — — 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-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 ACHE 268/4885CD274 4548/4885LPAR1 716/4885

“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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