SCHEMBL18838280

SCHEMBL18838280

O=C(NCC1CCN(CCC2CC2)CC1)c1ccc(Cl)s1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CACNA1I Q9P0X4 6/20 0.62
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ KCNH2 Q12809 4/20 0.47
▸ HTR4 Q13639 2/20 0.46
▸ F10 P00742 8/20 0.45
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ F2 P00734 2/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44

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
SCHEMBL20618506 0.86 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC6F10
SCHEMBL13110279 0.81 DRD2 (0.52) KCNH2F10LMNAMAPK1KMT2A
SCHEMBL18838327 0.81 CACNA1I (0.66) CACNA1IHDAC3HDAC4HDAC1HDAC6
SCHEMBL20615620 0.77 KDM4E (0.64) HDAC3HDAC4HDAC1HDAC6F10
SCHEMBL20615680 0.77 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC6HTR4
SCHEMBL4592552 0.77 F10 (0.52) F10MAPK1F2
SCHEMBL4592548 0.77 F10 (0.52) F10MAPK1F2
SCHEMBL5466094 0.75 ALDH1A1 (0.45) CACNA1ILMNAMAPK1KMT2AF2
SCHEMBL5466097 0.75 ALDH1A1 (0.45) CACNA1ILMNAMAPK1KMT2AF2
SCHEMBL5466101 0.75 DRD2 (0.46) CACNA1IF2DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3340988-B1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES AFASCI INC (US) 2025-04-09 — — EP disclosed
CN-108289886-B Ion channel inhibiting compounds, pharmaceutical formulations and uses 安华赛公司 2022-01-28 — — CN disclosed
US-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 — — US disclosed
US-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 — — US disclosed
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses AFASCI, INC. (US) 2018-11-01 — — US disclosed
EP-3340988-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES Afasci, Inc. (US) 2018-07-04 — — EP disclosed
WO-2017083867-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES AFASCI, INC. (US) 2017-05-18 — — WO disclosed
WO-2017083867-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES AFASCI, INC. (US) 2017-05-18 — — 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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H CACNA1I 1/4885HDAC3 1437/4885HDAC4 1119/4885
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses CACNA1I, CACNA1G, CACNA1H CACNA1I 1/4885HDAC3 1437/4885HDAC4 1119/4885

“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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