SCHEMBL190190

SCHEMBL190190

CC(C)(C)OC(=O)N1CCCCC1CBr

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE8B O95263 1/20 0.47
▸ KDM1A O60341 1/20 0.44
▸ ATM Q13315 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ FPR3 P25089 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ PREP P48147 1/20 0.40
▸ OPRD1 P41143 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CTSK P43235 1/20 0.39

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
SCHEMBL398772 0.95 HSD17B10 (0.48) PDE8BATMHSD17B10HPGDSMN1; SMN2
SCHEMBL29739 0.95 HSD17B10 (0.48) PDE8BATMHSD17B10HPGDSMN1; SMN2
SCHEMBL539034 0.95 HSD17B10 (0.48) PDE8BATMHSD17B10HPGDSMN1; SMN2
SCHEMBL31114914 0.89 HSD17B10 (0.40) ATMHSD17B10HPGDSMN1; SMN2EPHX1
SCHEMBL19950330 0.89 HSD17B10 (0.40) ATMHSD17B10HPGDSMN1; SMN2EPHX1
SCHEMBL19951601 0.89 HSD17B10 (0.40) ATMHSD17B10HPGDSMN1; SMN2EPHX1
SCHEMBL842174 0.88 ATM (0.47) PDE8BKDM1AATMHSD17B10HPGD
SCHEMBL192841 0.86 POLB (0.51) PDE8BKDM1AATMHSD17B10HPGD
SCHEMBL6597261 0.86 PDE8B (0.47) PDE8BKDM1AATMHSD17B10HPGD
SCHEMBL282977 0.86 POLB (0.51) PDE8BKDM1AATMHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117157279-A Preparation method of bicyclo compound and application of bicyclo compound as antibacterial agent 上海济煜医药科技有限公司 2023-12-01 — — CN disclosed
CN-115724836-A GPX4 protein degrading agent, preparation method and application thereof, and anti-tumor cell medicine 北京大学 2023-03-03 — — CN disclosed
EP-2951169-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-08-28 — — EP disclosed
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 — — US disclosed
US-9926333-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2018-03-27 — — US disclosed
US-20170327514-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 — — US disclosed
US-9732093-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-15 — — US disclosed
CN-103547575-B Compounds having muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity 奇斯药制品公司 2016-08-17 — — CN disclosed
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2016-06-02 — — US disclosed
US-9249154-B2 Compounds and therapeutic use thereof for protein kinase inhibition WU ZHANGGUI (US) 2016-02-02 — — US disclosed
US-20110009415-A1 Thienopyridazine Compounds, Their Preparations, Pharmaceutical Compositions And Uses WU, ZHANGGUI (CN) 2011-01-13 — — US disclosed
US-20110009415-A1 Thienopyridazine Compounds, Their Preparations, Pharmaceutical Compositions And Uses WU, ZHANGGUI (CN) 2011-01-13 — — US disclosed
US-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2010-12-09 — — US disclosed
EP-2241569-A1 THIENOPYRIDAZINE COMPOUNDS, THEIR PREPARATIONS, PHARMACEUTICAL COMPOSITIONS AND USES Zhejiang Medicine Co., Ltd. Xinchang Pharmaceutical Factory (CN) 2010-10-20 — — EP disclosed
EP-2188255-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS AstraZeneca AB (SE) 2010-05-26 — — EP disclosed
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition WU ZHANGGUI 2009-11-05 — — US disclosed
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition WU ZHANGGUI 2009-11-05 — — US disclosed
WO-2009027746-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2009-03-05 — — WO disclosed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 — — US disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 — — 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 (7 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-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain CNR2, CNR1, OPRL1 PDE8B 3432/4885KDM1A 851/4885ATM 4384/4885
US-20170327514-A1 FLAP MODULATORS FEN1, PGF, TBXA2R PDE8B 306/4885KDM1A 1549/4885ATM 2404/4885
US-20110009415-A1 Thienopyridazine Compounds, Their Preparations, Pharmaceutical Compositions And Uses CYP3A5, ABCC5, DPYD PDE8B 1544/4885KDM1A 3091/4885ATM 3993/4885
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIK3CA, PIK3CD, PIK3CB PDE8B 1760/4885KDM1A 778/4885ATM 1200/4885
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition CHEK2, CHEK1, PLK1 PDE8B 2706/4885KDM1A 2198/4885ATM 10/4885
US-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS SHH, GLI1, HRH4 PDE8B 1605/4885KDM1A 1408/4885ATM 1383/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PDE8B 1067/4885KDM1A 4312/4885ATM 635/4885

“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.

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