SCHEMBL17811822

SCHEMBL17811822

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ HTR2A P28223 3/20 0.33
▸ HTR2C P28335 3/20 0.33
▸ HTR2B P41595 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ TACR1 P25103 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL17815738 0.83 ACHE (0.40) ACHEBACE1CD274CYP3A4TSHR
SCHEMBL20820440 0.81 ACHE (0.38) ACHEBACE1DRD2CD274MEN1
SCHEMBL16371989 0.78 CA12 (0.47) ALDH1A1TSHR
SCHEMBL17811809 0.77 PDE4B (0.40) ACHEKDM1AALDH1A1MAOA
SCHEMBL17811839 0.74 MAOA (0.34) ACHEHDAC4HDAC8MEN1KMT2A
SCHEMBL24557359 0.71 APP (0.49) ACHEHDAC4HDAC8MEN1KMT2A
SCHEMBL17812426 0.70 PDE4B (0.40) ALDH1A1MAOA
SCHEMBL21536701 0.67 BACE1 (0.37) BACE1
SCHEMBL17811831 0.67 GPR88 (0.38) ACHEALDH1A1
SCHEMBL17812427 0.67 FDPS (0.41) ACHEALDH1A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233191-B2 Fused piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-19 — — US disclosed
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 (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-10233191-B2 Fused piperidine amides as modulators of ion channels TRPV1, TRPA1, KCNJ2 ACHE 268/4885BACE1 3110/4885DRD2 1111/4885
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 ACHE 268/4885BACE1 3110/4885DRD2 1111/4885

“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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