SCHEMBL4621983

SCHEMBL4621983

CCS(=O)(=O)N(CC(=O)NCCN(C)C)C1CC(C)(C)Oc2ccc(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 3/20 0.45
KCNQ1 P51787 3/20 0.45
TRPV1 Q8NER1 13/20 0.43
ACKR3 P25106 1/20 0.38
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL14256398 1.00 KCNE1 (0.45) KCNE1KCNQ1TRPV1ACKR3POLB
SCHEMBL4621868 0.89 KMT2A (0.42) KCNE1KCNQ1TRPV1ACKR3MAPT
SCHEMBL7474303 0.89 TRPV1 (0.46) KCNE1KCNQ1TRPV1MAPT
SCHEMBL7472708 0.87 MAPT (0.48) KCNE1KCNQ1TRPV1MAPT
SCHEMBL7461292 0.85 KMT2A (0.45) KCNE1KCNQ1TRPV1POLB
SCHEMBL7477203 0.85 TRPV1 (0.42) KCNE1KCNQ1TRPV1HSD17B10
SCHEMBL7468526 0.84 KCNE1 (0.49) KCNE1KCNQ1TRPV1CYP3A4
SCHEMBL7477208 0.83 HSD17B10 (0.41) KCNE1KCNQ1TRPV1MAPTCYP3A4
Hydrochloric Acid SCHEMBL7474459 0.83 TRPV1 (0.41) KCNE1KCNQ1TRPV1
SCHEMBL7472489 0.83 KCNE1 (0.48) KCNE1KCNQ1TRPV1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1170528-C Use of inhibitors of KQT1 channel for the production of medicaments for the treatment of helminth and ectoparasite-related diseases ���ĵ�˹ҩ��¹����޹�˾ 2004-10-13 CN claimed
US-20020055537-A1 Use of inhibitors of the KQT1 channel and methods of controlling and treating diseases caused by helminths and ectoparasites AVENTIS PHARMA DEUTSCHLAND GMBH 2002-05-09 US claimed
US-6335363-B1 ADMINISTERING 4-(SULFONYLAMINO-)-CHROMANE DERIVATIVE AS INSECTICIDE, NEMATOCIDE, FUNGICIDE OR PESTICIDE FOR CROP PROTECTION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-01 US claimed
EP-1140042-B1 UTILIZATION OF INHIBITORS OF THE KQT1 CHANNEL IN ORDER TO PRODUCE A MEDICAMENT FOR TREATING DISEASES WHICH ARE CAUSED BY PARASITIC HELMINTHS AND ECTOPARASITES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-26 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-20020055537-A1 Use of inhibitors of the KQT1 channel and methods of controlling and treating diseases caused by helminths and ectoparasites KCNQ1, KCNQ2, KCNQ3 KCNE1 17/4885KCNQ1 1/4885TRPV1 69/4885

“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.