SCHEMBL21726741

SCHEMBL21726741

CC(C)(C)CCN1CCC2(CC1)C[C@H]2NC(=O)c1cc(F)cc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 10/20 0.57
▸ CACNA1I Q9P0X4 9/20 0.51
▸ CACNA1G O43497 2/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ HTR4 Q13639 1/20 0.46
▸ CACNA1C Q13936 1/20 0.46
▸ CACNA1H O95180 10/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ TAS1R2 Q8TE23 1/20 0.43
▸ CYP2D6 P10635 4/20 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
SCHEMBL18838489 1.00 KCNH2 (0.57) KCNH2CACNA1ICACNA1GCHRM2HRH1
SCHEMBL21726742 1.00 KCNH2 (0.57) KCNH2CACNA1ICACNA1GCHRM2HRH1
SCHEMBL29361645 1.00 KCNH2 (0.57) KCNH2CACNA1ICACNA1GCHRM2HRH1
SCHEMBL18838325 0.93 KCNH2 (0.62) KCNH2CACNA1ICACNA1GCHRM2HRH1
SCHEMBL18838360 0.87 KCNH2 (0.53) KCNH2CACNA1ICACNA1GCHRM2HRH1
SCHEMBL29363903 0.87 KCNH2 (0.53) KCNH2CACNA1ICACNA1GCHRM2HRH1
SCHEMBL29364436 0.86 CACNA1H (0.63) KCNH2CACNA1ICACNA1GCACNA1HTAS1R3
SCHEMBL18838316 0.86 CACNA1H (0.63) KCNH2CACNA1ICACNA1GCACNA1HTAS1R3
SCHEMBL18838319 0.86 CACNA1H (0.63) KCNH2CACNA1ICACNA1GCACNA1HTAS1R3
SCHEMBL18838322 0.86 CACNA1H (0.63) KCNH2CACNA1ICACNA1GCACNA1HTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744825-B2 Methods of treating hypersensitive cough or itching using ion channel inhibitory compounds AFASCI, INC. (US) 2023-09-05 — — US disclosed
US-20200069665-A1 METHODS OF TREATING HYPERSENSITIVE COUGH OR ITCHING USING ION CHANNEL INHIBITORY COMPOUNDS AFASCI, INC. (US) 2020-03-05 — — US disclosed
US-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 — — 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 (3 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 KCNH2 55/4885CACNA1I 1/4885CACNA1G 2/4885
US-11744825-B2 Methods of treating hypersensitive cough or itching using ion channel inhibitory compounds TRPV1, TRPA1, TRPV2 KCNH2 56/4885CACNA1I 20/4885CACNA1G 22/4885
US-20200069665-A1 METHODS OF TREATING HYPERSENSITIVE COUGH OR ITCHING USING ION CHANNEL INHIBITORY COMPOUNDS TRPV1, TRPA1, TRPV2 KCNH2 56/4885CACNA1I 20/4885CACNA1G 22/4885

“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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