SCHEMBL4056624

SCHEMBL4056624

CCCCCNC=CC#N

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.46
ADH1B P00325 3/20 0.46
ADH1A P07327 3/20 0.46
ADH7 P40394 3/20 0.46
ADH1C P00326 2/20 0.46
ADH4 P08319 1/20 0.46
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
ZDHHC20 Q5W0Z9 2/20 0.35
ZDHHC2 Q9UIJ5 2/20 0.35

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
SCHEMBL9424874 0.98 EPHX1 (0.50) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL11407478 0.98 EPHX1 (0.50) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL11410452 0.93
SCHEMBL11409085 0.93
SCHEMBL14417674 0.84
SCHEMBL11267407 0.78 ALDH1A1 (0.41) ALDH1A1
SCHEMBL11409346 0.74
SCHEMBL22157419 0.72
SCHEMBL21431381 0.72
SCHEMBL7958175 0.72

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-7560473-B2 Amine derivative with potassium channel regulatory function, its preparation and use INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES, P.L.A. (CN) 2009-07-14 US disclosed
US-20040266822-A1 Amine derivative with potassium channel regulatory function, its preparation and use INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. (CN) 2004-12-30 US disclosed
EP-1386908-A1 AMINE DERIVATIVE WITH POTASSIUM CHANNEL REGULATORY FUNCTION, ITS PREPARATION AND USE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2004-02-04 EP 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-20040266822-A1 Amine derivative with potassium channel regulatory function, its preparation and use KCNMA1, KCNA5, KCNA1 EPHX1 763/4885ADH1B 775/4885ADH1A 451/4885

“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.