SCHEMBL6182773

SCHEMBL6182773

NC(c1ccccn1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.47
KCNE1 P15382 1/20 0.47
KDM4E B2RXH2 4/20 0.40
SLC6A4 P31645 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
GRM5 P41594 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
IDO1 P14902 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 0.38
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL20217280 0.98 KCNA5 (0.44) KCNA5KCNE1KDM4ESLC6A4ALDH1A1
SCHEMBL12789439 0.98 KCNA5 (0.44) KCNA5KCNE1KDM4ESLC6A4ALDH1A1
Hydrochloric Acid SCHEMBL15400020 0.96 KCNA5 (0.43) KCNA5KCNE1KDM4ESLC6A4ALDH1A1
Hydrochloric Acid SCHEMBL15400032 0.96 KCNA5 (0.43) KCNA5KCNE1KDM4ESLC6A4ALDH1A1
SCHEMBL14862495 0.95 KCNA5 (0.44) KCNA5KCNE1KDM4ESLC6A4ALDH1A1
SCHEMBL14862575 0.91 SLC6A4 (0.44) KCNA5KCNE1KDM4ESLC6A4ALDH1A1
SCHEMBL14862093 0.91 SLC6A4 (0.44) KCNA5KCNE1KDM4ESLC6A4ALDH1A1
SCHEMBL2085504 0.91 SLC6A4 (0.44) KCNA5KCNE1KDM4ESLC6A4ALDH1A1
SCHEMBL29779604 0.91 SLC6A4 (0.44) KCNA5KCNE1KDM4ESLC6A4ALDH1A1
SCHEMBL29779595 0.91 SLC6A4 (0.44) KCNA5KCNE1KDM4ESLC6A4ALDH1A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233799-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2021-05-19 EP disclosed
EP-3233799-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2021-05-19 EP disclosed
US-10752588-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-08-25 US disclosed
US-10752588-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-08-25 US disclosed
US-20190345105-A9 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2019-11-14 US disclosed
US-20190345105-A9 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2019-11-14 US disclosed
US-20190023656-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2019-01-24 US disclosed
US-20190023656-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2019-01-24 US disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
EP-3233799-A1 DOPAMINE D2 RECEPTOR LIGANDS The Broad Institute Inc. (US) 2017-10-25 EP disclosed
EP-2952503-A1 HIV REPLICATION INHIBITOR Shionogi & Co., Ltd. (JP) 2015-12-09 EP disclosed
WO-2015156421-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-10-15 WO disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US disclosed
EP-2752410-A1 HETEROCYCLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY Shionogi & Co., Ltd. (JP) 2014-07-09 EP disclosed
WO-2014065434-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-05-01 WO disclosed
WO-2013001830-A1 NUCLEOSIDE ANTIBIOTIC DERIVATIVE 国立大学法人北海道大学 (JP) 2013-01-03 WO disclosed
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6194437-B1 ANTIDEPRESSANTS; ANTICANCER AGENTS; GASTROINTESTINAL DISORDERS; COGNITION ACTIVATORS WARNER-LAMBERT COMPANY 2001-02-27 US disclosed
EP-0920424-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-06-09 EP disclosed
WO-1998007718-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-26 WO 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 (4 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-20190345105-A9 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 KCNA5 1071/4885KCNE1 1097/4885KDM4E 4204/4885
US-20190023656-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 KCNA5 1071/4885KCNE1 1097/4885KDM4E 4204/4885
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME PLK4, PLK2, PLK3 KCNA5 2880/4885KCNE1 1855/4885KDM4E 1467/4885
US-10752588-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 KCNA5 1071/4885KCNE1 1097/4885KDM4E 4204/4885

“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.