SCHEMBL478677

SCHEMBL478677

c1onnc1N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
HPGD P15428 3/20 0.38
CHRM3 P20309 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CASP1 P29466 1/20 0.33
CASP4 P49662 1/20 0.33
CASP5 P51878 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL8026993 1.00 CYP1A2 (0.42) CYP1A2HPGDCHRM3PDE4APDE4B
SCHEMBL4552615 0.98 CYP1A2 (0.39) CYP1A2HPGDCHRM3PDE4APDE4B
SCHEMBL31097966 0.93
SCHEMBL23152060 0.83 KMT2A (0.42) CYP1A2SMN1; SMN2CRHBPCRHR2ALDH1A1
Hydrochloric Acid SCHEMBL27818600 0.81 KMT2A (0.41) CYP1A2SMN1; SMN2CRHBPCRHR2ALDH1A1
SCHEMBL20395811 0.79 BPTF (0.46) CYP1A2HPGDALDH1A1MAPK1HTT
SCHEMBL232813 0.70
SCHEMBL14503215 0.69 CYP1A2 (0.75) CYP1A2HPGDSMN1; SMN2ALDH1A1MAPK1
SCHEMBL15551479 0.67 KMT2A (0.38) CYP1A2HPGDALDH1A1NPC1RAB9A
SCHEMBL28246071 0.66 MAPT (0.41) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105384734-B Trinitrogenazole alcohol antifungal compound and the preparation method and application thereof with the side chain of oxadiazoles containing piperidines 中国人民解放军第二军医大学 2018-07-17 CN claimed
US-20210403443-A1 SUBSTITUTED 1,2,4-OXADIAZOLE, ITS APPLICATION AND A PHARMACEUTICAL PREPARATION COMPRISING IT SVENOX PHARMACEUTICALS LLC 2021-12-30 US disclosed
CN-112996565-A Substituted 1,2, 4-oxadiazoles, their use and pharmaceutical preparations comprising them 斯文诺克斯制药有限责任公司 2021-06-18 CN disclosed
WO-2020128675-A1 SUBSTITUTED 1,2,4-OXADIAZOLE, ITS APPLICATION AND A PHARMACEUTICAL PREPARATION COMPRISING IT SVENOX PHARMACEUTICALS LLC (US) 2020-06-25 WO disclosed
US-10308645-B2 Piperidine oxadiazole and thiadiazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-06-04 US disclosed
US-10308645-B2 Piperidine oxadiazole and thiadiazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-06-04 US disclosed
CN-105384734-B Trinitrogenazole alcohol antifungal compound and the preparation method and application thereof with the side chain of oxadiazoles containing piperidines 中国人民解放军第二军医大学 2018-07-17 CN disclosed
CN-105384734-B Trinitrogenazole alcohol antifungal compound and the preparation method and application thereof with the side chain of oxadiazoles containing piperidines 中国人民解放军第二军医大学 2018-07-17 CN disclosed
US-20170313693-A1 PIPERIDINE OXADIAZOLE AND THIADIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-02 US disclosed
CN-106317059-A Novel cannabinoid receptor 2(CB2) agonist 成都理工大学 2017-01-11 CN disclosed
WO-2000020414-A9 PIPERIDYLOXADIAZOLES AS DOPAMINE RECEPTOR ANTAGONISTS COMBICHEM INC (US) 2002-08-22 WO disclosed
US-6107313-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS COMBICHEM, INC. (US) 2000-08-22 US disclosed
WO-2000020414-A1 PIPERIDYLOXADIAZOLES AS DOPAMINE RECEPTOR ANTAGONISTS COMBICHEM, INC. (US) 2000-04-13 WO disclosed
EP-0981539-A1 DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS BASF AKTIENGESELLSCHAFT (DE) 2000-03-01 EP disclosed
US-5965537-A ANTICANCER AGENTS; WATER SOLUBILITY BASF AKTIENGESELLSCHAFT (DE) 1999-10-12 US disclosed
WO-1998040400-A1 DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS BASF AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed
US-4933353-A ALZHEIMER*S DISEASE A/S FERROSAN (DE) 1990-06-12 US disclosed
US-4933353-A ALZHEIMER*S DISEASE A/S FERROSAN (DE) 1990-06-12 US disclosed
US-4837241-A TREATMENT OF ALZEHEIMER*S DISEASE A/S FERROSAN (DK) 1989-06-06 US disclosed
US-4837241-A TREATMENT OF ALZEHEIMER*S DISEASE A/S FERROSAN (DK) 1989-06-06 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 (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-20210403443-A1 SUBSTITUTED 1,2,4-OXADIAZOLE, ITS APPLICATION AND A PHARMACEUTICAL PREPARATION COMPRISING IT OXA1L, ABCC1, NDUFS3 CYP1A2 90/4885HPGD 314/4885CHRM3 1151/4885
US-20170313693-A1 PIPERIDINE OXADIAZOLE AND THIADIAZOLE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR CYP1A2 2087/4885HPGD 541/4885CHRM3 697/4885
US-10308645-B2 Piperidine oxadiazole and thiadiazole orexin receptor antagonists HCRTR2, HCRTR1, OXTR CYP1A2 2087/4885HPGD 541/4885CHRM3 697/4885

“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.