SCHEMBL3399446

SCHEMBL3399446

c1ccc(-c2ccc(C3CCCNC3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR3A P46098 1/20 0.50
HPGDS O60760 1/20 0.49
JAK3 P52333 1/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SLC18A3 Q16572 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL12321143 0.91 HTR3A (0.61) HTR3AJAK3SLC18A3SIGMAR1
SCHEMBL381572 0.88 SLC18A3 (0.59) KCNH2HTR2AHTR2CHTR3AJAK3
SCHEMBL4280 0.88 SLC18A3 (0.59) KCNH2HTR2AHTR2CHTR3AJAK3
SCHEMBL383031 0.88 SLC18A3 (0.59) KCNH2HTR2AHTR2CHTR3AJAK3
Benzene SCHEMBL28198364 0.88 SLC18A3 (0.59) KCNH2HTR2AHTR2CHTR3AJAK3
Hydrochloric Acid SCHEMBL31233227 0.86 DRD2 (0.57) KCNH2HTR2AHTR2CHTR3AJAK3
Hydrochloric Acid SCHEMBL1765272 0.86 DRD2 (0.57) KCNH2HTR2AHTR2CHTR3AJAK3
SCHEMBL21425192 0.84 DRD2 (0.60) KCNH2HTR2AHTR2CHPGDSDRD2
SCHEMBL22778230 0.84 HTR3A (0.73) KCNH2HTR3ACYP2D6SLC6A2SLC6A4
SCHEMBL22778149 0.84 KCNH2 (0.55) KCNH2HTR2AHTR2CHTR3ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP claimed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO claimed
US-12115154-B2 Compounds for the modulation of proprotein convertase subtilisin/kexin type 9 (PCSK9) SRX CARDIO, LLC (US) 2024-10-15 US disclosed
US-20220267269-A1 COMPOUNDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) SRX CARDIO LLC (US) 2022-08-25 US disclosed
US-20220193058-A1 COMPOUNDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) SRX CARDIO, LLC 2022-06-23 US disclosed
US-20220193058-A1 COMPOUNDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) SRX CARDIO, LLC 2022-06-23 US disclosed
US-11345679-B2 Quaternary lactam compound and pharmaceutical use thereof SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO., LTD. (CN) 2022-05-31 US disclosed
EP-3983392-A2 COMPOUNDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) SRX Cardio, LLC (US) 2022-04-20 EP disclosed
CN-114206843-A Compounds for modulating proprotein convertase subtilisin/Kexin type 9(PCSK9) SRX心脏有限责任公司 2022-03-18 CN disclosed
EP-3778588-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2021-02-17 EP disclosed
US-20210032219-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO., LTD. (CN) 2021-02-04 US disclosed
WO-2020252383-A2 COMPOUNDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) SRX CARDIO, LLC (US) 2020-12-17 WO disclosed
WO-2020252383-A2 COMPOUNDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) SRX CARDIO, LLC (US) 2020-12-17 WO disclosed
WO-2019185046-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF 上海美悦生物科技发展有限公司 2019-10-03 WO disclosed
US-20110212080-A1 UREA DERIVATIVES AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. 2011-09-01 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-20110212080-A1 UREA DERIVATIVES AS ANTIBACTERIAL AGENTS SLC14A1, LPXN, UBXN1 KCNH2 3378/4885HTR2A 4804/4885HTR2C 4800/4885
US-20220193058-A1 COMPOUNDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 KCNH2 4801/4885HTR2A 3413/4885HTR2C 3722/4885
US-12115154-B2 Compounds for the modulation of proprotein convertase subtilisin/kexin type 9 (PCSK9) PCSK9, PCSK6, PCSK7 KCNH2 4801/4885HTR2A 3413/4885HTR2C 3722/4885
US-20220267269-A1 COMPOUNDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 KCNH2 4801/4885HTR2A 3413/4885HTR2C 3722/4885
US-20210032219-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF F2, PCSK9, F9 KCNH2 2362/4885HTR2A 4534/4885HTR2C 4410/4885
US-11345679-B2 Quaternary lactam compound and pharmaceutical use thereof F2, PCSK9, F9 KCNH2 2362/4885HTR2A 4534/4885HTR2C 4410/4885

“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.