SCHEMBL7478080

SCHEMBL7478080

COc1cc(F)ccc1OCCN

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PARP1 P09874 1/20 0.47
PARP3 Q9Y6F1 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
PRSS1 P07477 3/20 0.45
FDPS P14324 2/20 0.45
ATM Q13315 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 4/20 0.43

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
SCHEMBL7486685 0.93 TDP1 (0.50) KDM4EL3MBTL1TDP1PARP1PARP3
SCHEMBL9632943 0.84 L3MBTL1 (0.53) KDM4EL3MBTL1TDP1ALDH1A1MAPT
SCHEMBL9633209 0.84 HTR2C (0.52) KDM4EL3MBTL1TDP1PARP1PARP3
SCHEMBL9462246 0.84 L3MBTL1 (0.53) KDM4EL3MBTL1TDP1ALDH1A1MAPT
SCHEMBL9632375 0.83 KDM4E (0.48) KDM4EL3MBTL1TDP1HTR2A
SCHEMBL9631985 0.82 KCNH2 (0.54) L3MBTL1TDP1ALDH1A1MAPTMAPK1
SCHEMBL17848587 0.82 L3MBTL1 (0.46) KDM4EL3MBTL1TDP1ALDH1A1MAPT
SCHEMBL9632875 0.82 L3MBTL1 (0.46) KDM4EL3MBTL1TDP1ALDH1A1MAPT
SCHEMBL19461858 0.82 L3MBTL1 (0.50) L3MBTL1TDP1ALDH1A1MAPTMAPK1
SCHEMBL10263254 0.82 L3MBTL1 (0.50) KDM4EL3MBTL1TDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
US-20160214973-A1 STORE OVERLOAD-INDUCED CALCIUM RELEASE INHIBITORS AND METHODS FOR PRODUCING AND USING THE SAME UTI LIMITED PARTNERSHIP (CA) 2016-07-28 US disclosed
EP-1068184-B1 N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2002-09-04 EP disclosed
EP-1068184-A1 N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-17 EP disclosed
US-6110956-A ANTIDEPRESSANTS TREATING DISORDERS OF THE SEROTONIN-AFFECTED NEUROLOGICAL SYSTEMS AMERICAN HOME PRODUCTS CORP. (US) 2000-08-29 US disclosed
WO-1999051576-A1 N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed
EP-0331943-B1 PHENOXYETHYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR EXHIBITING EXCELLENT ALPHA-1-BLOCKING ACTIVITY CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1992-06-17 EP disclosed
US-4971990-A HYPOTENSIVE AGENTS, DYSUREA HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed
EP-0331943-A1 Phenoxyethylamine derivatives, process for preparing the same, and composition for exhibiting excellent alpha-1-blocking activity containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-09-13 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-20160214973-A1 STORE OVERLOAD-INDUCED CALCIUM RELEASE INHIBITORS AND METHODS FOR PRODUCING AND USING THE SAME ORAI1, RYR2, CASR KDM4E 3018/4885L3MBTL1 3268/4885TDP1 3331/4885

“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.