SCHEMBL21177101

SCHEMBL21177101

Cc1cc(C2CCC(=O)CC2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.44
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
IDO1 P14902 1/20 0.44
USP30 Q70CQ3 1/20 0.40
UHRF1 Q96T88 1/20 0.39
TLR7 Q9NYK1 8/20 0.38
TLR8 Q9NR97 7/20 0.38
TLR9 Q9NR96 6/20 0.38
PROKR1 Q8TCW9 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 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
SCHEMBL9277352 0.85 IDO1 (0.50) IDO1USP30UHRF1TLR7TLR8
SCHEMBL12093743 0.82 IDO1 (0.45) IDO1USP30UHRF1TLR7TLR8
SCHEMBL12093732 0.82 IDO1 (0.45) IDO1USP30UHRF1TLR7TLR8
SCHEMBL18705765 0.81 PDE4A (0.45) ESR2PDE4APDE4BPDE4CPDE4D
Bicarbonate SCHEMBL9280862 0.81 IDO1 (0.54) IDO1USP30UHRF1TLR7TLR8
Cyanide SCHEMBL27912025 0.80 IDO1 (0.47) IDO1USP30UHRF1TLR7TLR8
SCHEMBL22402327 0.80 IDO1 (0.44) IDO1USP30UHRF1TLR7TLR8
SCHEMBL22048047 0.80 PDE4A (0.49) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL5584522 0.79 IDO1 (0.43) IDO1USP30UHRF1TLR7TLR8
SCHEMBL21381385 0.78 ESR2 (0.46) ESR2PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110092750-B Pentafluoro sulfanyl substituted amide compound, preparation method and application thereof in medicine 北京诺诚健华医药科技有限公司 2023-07-21 CN disclosed
CN-111247119-B Amidine and guanidine derivatives, preparation method and application thereof in medicines 四川科伦博泰生物医药股份有限公司 2023-02-03 CN disclosed
CN-112334458-B 3-indazolinone compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-11-08 CN disclosed
US-11389445-B2 Pentafluorosulfanyl-substituted amide derivatives, preparation methods thereof and medical uses thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2022-07-19 US disclosed
CN-107674013-B Polycyclic compound, preparation method, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2022-05-24 CN disclosed
CN-111630043-B Compound containing ring, preparation method and application thereof in medicine 四川科伦博泰生物医药股份有限公司 2022-02-15 CN disclosed
US-20210221808-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-07-22 US disclosed
US-20210221808-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-07-22 US disclosed
EP-3805212-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2021-04-14 EP disclosed
EP-3805212-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2021-04-14 EP disclosed
US-20210046069-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE DERIVATIVES, PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-02-18 US disclosed
US-20210046069-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE DERIVATIVES, PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-02-18 US disclosed
CN-112334458-A 3-indazolinone compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2021-02-05 CN disclosed
EP-3747865-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2020-12-09 EP disclosed
EP-3747865-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2020-12-09 EP disclosed
CN-111630043-A Compound containing ring, preparation method and application thereof in medicine 四川科伦博泰生物医药股份有限公司 2020-09-04 CN disclosed
CN-111247119-A Amidine and guanidine derivatives, preparation method and application thereof in medicines 四川科伦博泰生物医药股份有限公司 2020-06-05 CN disclosed
WO-2019179369-A1 RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF 四川科伦博泰生物医药股份有限公司 2019-09-26 WO disclosed
WO-2019144781-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF 北京诺诚健华医药科技有限公司 2019-08-01 WO disclosed
WO-2019141095-A1 AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-07-25 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-20210221808-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF IDO1, IDO2, INMT ESR2 4775/4885PDE4A 1848/4885PDE4B 1689/4885
US-20210046069-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE DERIVATIVES, PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF IDO1, IDO2, KYNU ESR2 4813/4885PDE4A 2265/4885PDE4B 1862/4885
US-11389445-B2 Pentafluorosulfanyl-substituted amide derivatives, preparation methods thereof and medical uses thereof IDO1, IDO2, KYNU ESR2 4813/4885PDE4A 2265/4885PDE4B 1862/4885

“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.