SCHEMBL18860282

SCHEMBL18860282

O=C(NC1CCCC12CCN(CCc1ccccc1)CC2)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.54
▸ DRD4 P21917 2/20 0.50
▸ SIGMAR1 Q99720 3/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.48
▸ KCNH2 Q12809 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ OPRD1 P41143 3/20 0.46
▸ ADRA1A P35348 2/20 0.46
▸ ADRA1B P35368 2/20 0.46
▸ OPRM1 P35372 2/20 0.46
▸ OPRK1 P41145 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ CARM1 Q86X55 1/20 0.46
▸ PRMT6 Q96LA8 1/20 0.46

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
SCHEMBL18838336 0.93 HTR2A (0.56) HTR2ADRD4SIGMAR1HRH3KCNH2
SCHEMBL18838295 0.93 HTR2A (0.56) HTR2ADRD4SIGMAR1HRH3KCNH2
SCHEMBL18838298 0.93 HTR2A (0.56) HTR2ADRD4SIGMAR1HRH3KCNH2
SCHEMBL18860333 0.90 KCNH2 (0.57) HTR2ADRD4SIGMAR1HRH3KCNH2
SCHEMBL18860275 0.88 DRD4 (0.54) DRD4SIGMAR1KCNH2MEN1KMT2A
SCHEMBL18860277 0.88 DRD4 (0.51) HTR2ADRD4SIGMAR1HRH3KCNH2
SCHEMBL18838506 0.87 HTR2A (0.54) HTR2ADRD4SIGMAR1HRH3KCNH2
SCHEMBL18860279 0.84 CARM1 (0.46) KCNH2MEN1KMT2AADRA1AADRA1B
SCHEMBL18838330 0.83 KCNH2 (0.59) HTR2ADRD4SIGMAR1HRH3KCNH2
SCHEMBL18838432 0.82 CYP2D6 (0.43) HRH3MEN1KMT2AADRA1AADRA1B

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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 — — US 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 (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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H HTR2A 354/4885DRD4 446/4885SIGMAR1 1097/4885

“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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