SCHEMBL19865652

SCHEMBL19865652

CCCCCCCC(CCCCCC)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
KCNA5 P22460 2/20 0.43
HTT P42858 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
FDPS P14324 3/20 0.35
LMNA P02545 5/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN1A P35498 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
SCHEMBL18811892 1.00 KCNH2 (0.43) KCNH2KCNA5HTTKMT2AMEN1
SCHEMBL23381218 1.00 KCNH2 (0.43) KCNH2KCNA5HTTKMT2AMEN1
SCHEMBL27272370 1.00 KCNH2 (0.43) KCNH2KCNA5HTTKMT2AMEN1
SCHEMBL18403079 1.00 KCNH2 (0.43) KCNH2KCNA5HTTKMT2AMEN1
SCHEMBL19505906 1.00 KCNH2 (0.43) KCNH2KCNA5HTTKMT2AMEN1
SCHEMBL23920816 0.96 KCNH2 (0.41) KCNH2KCNA5HTTKMT2AMEN1
SCHEMBL9224767 0.96 KCNH2 (0.41) KCNH2KCNA5HTTKMT2AMEN1
SCHEMBL24901344 0.96 KCNH2 (0.40) KCNH2KCNA5HTTKMT2AMEN1
SCHEMBL18387994 0.93 KCNA5 (0.40) KCNH2KCNA5HTTKMT2AMEN1
SCHEMBL27426516 0.93 KCNA5 (0.40) KCNH2KCNA5HTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219974-A1 ANTHELMINTIC AZA-BENZOTHIOPHENE AND AZA-BENZOFURAN COMPOUNDS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2023-07-13 US disclosed
US-11560388-B2 Anthelmintic aza-benzothiophene and aza-benzofuran compounds BOEHRINGER INGELHEIM VETMEDICA GMBH 2023-01-24 US disclosed
US-20200299304-A1 ANTHELMINTIC AZA-BENZOTHIOPHENE AND AZA-BENZOFURAN COMPOUNDS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2020-09-24 US disclosed
US-20200115345-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN UNIV TEXAS (US) 2020-04-16 US disclosed
US-10450275-B2 Compounds and methods for treating cancer, neurological disorders, ethanol withdrawal, anxiety, depression, and neuropathic pain BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-22 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 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 (6 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-20200299304-A1 ANTHELMINTIC AZA-BENZOTHIOPHENE AND AZA-BENZOFURAN COMPOUNDS TPMT, NAT1, HNMT KCNH2 2871/4885KCNA5 1494/4885HTT 232/4885
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A KCNH2 2435/4885KCNA5 3148/4885HTT 4781/4885
US-11560388-B2 Anthelmintic aza-benzothiophene and aza-benzofuran compounds TPMT, NAT1, HNMT KCNH2 2871/4885KCNA5 1494/4885HTT 232/4885
US-20230219974-A1 ANTHELMINTIC AZA-BENZOTHIOPHENE AND AZA-BENZOFURAN COMPOUNDS TPMT, NAT1, HNMT KCNH2 2871/4885KCNA5 1494/4885HTT 232/4885
US-20200115345-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN ELAVL1, ADH1A, NGF KCNH2 895/4885KCNA5 1314/4885HTT 716/4885
US-10450275-B2 Compounds and methods for treating cancer, neurological disorders, ethanol withdrawal, anxiety, depression, and neuropathic pain ELAVL1, ADH1A, NGF KCNH2 895/4885KCNA5 1314/4885HTT 716/4885

“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.