SCHEMBL16371989

SCHEMBL16371989

COc1cc(C(=O)O)ccc1NCC1CC(F)(F)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ TPMT P51580 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ PYGL P06737 5/20 0.46
▸ HTT P42858 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SSTR5 P35346 1/20 0.43
▸ LRRK2 Q5S007 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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 0.80 ACHE (0.40) TSHRLMNAMAPK1MAPT
SCHEMBL16372479 0.79 TSHR (0.58) CA12CA1CA2CA4CA6
SCHEMBL20820440 0.78 ACHE (0.38) HTTLMNAMAPK1ALDH1A1MAPT
SCHEMBL17811822 0.78 ACHE (0.36) TSHRALDH1A1
SCHEMBL21729816 0.76 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL23375008 0.76 CA12 (0.57) CA12CA1CA2CA4CA6
SCHEMBL18033022 0.74 CA12 (0.56) CA12CA1CA2CA4CA6
SCHEMBL16544895 0.74 CA12 (0.59) CA12CA1CA2CA4CA6
SCHEMBL23144141 0.73 CA12 (0.54) CA12CA1CA2CA4CA6
SCHEMBL29811436 0.73 CA12 (0.54) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105473554-B Condensed piperidine amide as ion channel modulators 沃泰克斯药物股份有限公司 2019-08-13 — — CN disclosed
US-10233191-B2 Fused piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-19 — — US disclosed
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
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED 2016-06-09 — — US disclosed
EP-3019478-A1 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Inc. (US) 2016-05-18 — — EP disclosed
CN-105473554-A Fused piperidine amides as modulators of ion channels VERTEX PHARMA 2016-04-06 — — CN disclosed
WO-2015006280-A9 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-14 — — WO disclosed
WO-2015006280-A9 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-14 — — WO disclosed
WO-2015006280-A1 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-15 — — WO disclosed
WO-2015006280-A1 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-15 — — WO 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 CA12 4567/4885CA1 1822/4885CA2 249/4885
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 CA12 4567/4885CA1 1822/4885CA2 249/4885

“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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