SCHEMBL432115

SCHEMBL432115

COc1cccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)c1OC

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.65
KCNA5 P22460 8/20 0.64
SCN5A Q14524 8/20 0.64
KCND2 Q9NZV8 5/20 0.64
KCNH2 Q12809 1/20 0.64
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.39
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
BACE1 P56817 2/20 0.37

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
SCHEMBL19859245 1.00 SLC6A4 (0.65) SLC6A4KCNA5SCN5AKCND2KCNH2
Hydrochloric Acid SCHEMBL28712449 0.99 KCNA5 (0.66) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL14288315 0.80 KCNA5 (0.69) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL2624909 0.80 KCNA5 (0.69) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL10207918 0.80 KCNA5 (0.69) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL2624908 0.80 KCNA5 (0.69) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL14535354 0.80 KCNA5 (0.69) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL12810195 0.79 SLC6A4 (0.56) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL2624907 0.79 SLC6A4 (0.56) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL10266911 0.79 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2

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
US-10888552-B2 Treatment of disorders of sexual arousal with local application of agents that increase membrane excitability Rothman, Steven (US) 2021-01-12 US claimed
US-20190192493-A1 TREATMENT OF DISORDERS OF SEXUAL AROUSAL WITH LOCAL APPLICATION OF AGENTS THAT INCREASE MEMBRANE EXCITABILITY ROTHMAN STEVEN (US) 2019-06-27 US claimed
CN-114105847-A Refining method of Vernakalant hydrochloride 上海旭东海普药业有限公司 2022-03-01 CN disclosed
US-10888552-B2 Treatment of disorders of sexual arousal with local application of agents that increase membrane excitability Rothman, Steven (US) 2021-01-12 US disclosed
US-20190192493-A1 TREATMENT OF DISORDERS OF SEXUAL AROUSAL WITH LOCAL APPLICATION OF AGENTS THAT INCREASE MEMBRANE EXCITABILITY ROTHMAN STEVEN (US) 2019-06-27 US disclosed
EP-2414543-B1 GENETIC MARKERS FOR RISK MANAGEMENT OF ATRIAL FIBRILLATION AND STROKE DECODE GENETICS EHF (IS) 2016-10-12 EP disclosed
US-8795963-B2 Genetic markers for risk management of atrial fibrillation and stroke DECODE GENETICS EHF. (IS) 2014-08-05 US disclosed
US-20120021989-A1 GENETIC MARKERS FOR RISK MANAGEMENT OF ATRIAL FIBRILLATION AND STROKE DECODE GENETICS EHF. (IS) 2012-01-26 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-20190192493-A1 TREATMENT OF DISORDERS OF SEXUAL AROUSAL WITH LOCAL APPLICATION OF AGENTS THAT INCREASE MEMBRANE EXCITABILITY GABRE, SLC18A2, SLC18A1 SLC6A4 662/4885KCNA5 1203/4885SCN5A 1614/4885
US-10888552-B2 Treatment of disorders of sexual arousal with local application of agents that increase membrane excitability GABRE, SLC18A2, SLC18A1 SLC6A4 662/4885KCNA5 1203/4885SCN5A 1614/4885

“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.