SCHEMBL1047564

SCHEMBL1047564

COC(=O)C(C)(C)C1CCCNC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.40
SLC6A11 P48066 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A13 Q9NSD5 1/20 0.40
SSTR4 P31391 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.38
OPRK1 P41145 1/20 0.38
CPN1 P15169 2/20 0.33
CPB2 Q96IY4 2/20 0.33
APLNR P35414 2/20 0.32
NOS2 P35228 1/20 0.32
EPHX1 P07099 1/20 0.31

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
Hydrochloric Acid SCHEMBL1049250 0.98 SLC6A1 (0.39) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL1047563 0.98 SLC6A1 (0.39) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL27157670 0.91 SSTR4 (0.37) SLC6A1SLC6A11SLC6A13SSTR4EPHX1
SCHEMBL8613519 0.91 SSTR4 (0.37) SLC6A1SLC6A11SLC6A13SSTR4EPHX1
Hydrochloric Acid SCHEMBL29262906 0.89 SSTR4 (0.36) SLC6A1SLC6A11SLC6A13SSTR4EPHX1
Tert-Butyl Formate SCHEMBL27655209 0.88 TDP1 (0.36) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Tert-Butyl Formate SCHEMBL27655208 0.88 TDP1 (0.36) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Tert-Butyl Formate SCHEMBL27655210 0.88 TDP1 (0.36) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL27655272 0.85 SLC6A1 (0.37) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL27675037 0.85 SLC6A1 (0.37) SLC6A1SLC6A11TSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113840820-B Phthalazinone compounds and uses thereof ST制药株式会社 2024-05-03 CN disclosed
US-20220235011-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF ST PHARM CO., LTD. (KR) 2022-07-28 US disclosed
EP-3978480-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF ST Pharm Co., Ltd. (KR) 2022-04-06 EP disclosed
CN-113840820-A Phthalazinone compounds and uses thereof ST制药株式会社 2021-12-24 CN disclosed
WO-2020242245-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF 에스티팜 주식회사 2020-12-03 WO disclosed
US-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS PHENEX-FXR GMBH (DE) 2020-04-16 US disclosed
WO-2018021977-A1 GLYCINE METABOLISM MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-01 WO disclosed
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
EP-1725530-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-11-29 EP disclosed
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 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 (3 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-20220235011-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF SIRT6, SIRT1, SIRT2 SLC6A1 1307/4885SLC6A11 1701/4885TSHR 3428/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C SLC6A1 971/4885SLC6A11 1283/4885TSHR 817/4885
US-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS NR1H2, NR1H3, NR1H4 SLC6A1 2690/4885SLC6A11 2068/4885TSHR 136/4885

“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.