SCHEMBL1114394

SCHEMBL1114394

CN1C2CCC1CC(=NO)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
CHRNA7 P36544 2/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRM3 P20309 1/20 0.32
L3MBTL1 Q9Y468 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 SCHEMBL7809740 0.98 CHRNA7 (0.40) MAPK1CHRNA7LMNACYP2C9SLC6A2
SCHEMBL2957850 0.91 MAPK1 (0.54) MAPK1CHRNA7LMNACYP2C9CHRM3
Hydrochloric Acid SCHEMBL2957846 0.89 MAPK1 (0.52) MAPK1CHRNA7LMNACYP2C9CHRM3
Acetic Acid SCHEMBL9874813 0.82 MAPK1 (0.46) MAPK1CHRNA7SLC6A4SLC6A3CHRM3
SCHEMBL3412649 0.80 CHRNA7 (0.32) CHRNA7
SCHEMBL1922482 0.80 CHRNA7 (0.45) CHRNA7
SCHEMBL3410709 0.80 CHRNA7 (0.32) CHRNA7
SCHEMBL12022394 0.78 MAPK1 (0.43) MAPK1CHRNA7LMNACYP2C9SLC6A2
SCHEMBL3408506 0.78 TSHR (0.31)
SCHEMBL14094910 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751196-A Method for efficiently synthesizing maraviroc intermediate N-benzyl tropylamine 大连万福制药有限公司 2023-09-15 CN claimed
US-7307094-B2 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2007-12-11 US claimed
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-17 US claimed
CN-116751196-A Method for efficiently synthesizing maraviroc intermediate N-benzyl tropylamine 大连万福制药有限公司 2023-09-15 CN disclosed
WO-2022241188-A1 ENANTIOSELECTIVE SYNTHESIS OF AMINOTROPANE COMPOUND THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-11-17 WO disclosed
WO-2022241188-A1 ENANTIOSELECTIVE SYNTHESIS OF AMINOTROPANE COMPOUND THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-11-17 WO disclosed
WO-2021021979-A2 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPAPEUTICS, INC. (US) 2021-02-04 WO disclosed
US-9732029-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9725402-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
EP-3067352-A2 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF Cardioxyl Pharmaceuticals Inc. (US) 2016-09-14 EP disclosed
EP-2278975-B1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF CARDIOXYL PHARMACEUTICALS INC (US) 2016-09-07 EP disclosed
US-4599420-A GASTROINTESTINAL DISORDERS, ANTIEMETIC, PSYCHOSIS BEECHAM GROUP LTD. (GB) 1986-07-08 US disclosed
US-4544660-A DOPAMINE ANTAGONIST BEECHAM GROUP P.L.C. (GB) 1985-10-01 US disclosed
WO-1984000166-A1 BENZOIC ACID PIPERIDYL ESTER DERIVATIVES AND METHOD OF PRODUCTION AND UTILIZATION THEREOF SANDOZ AG (CH) 1984-01-19 WO disclosed
EP-0013138-B1 AZABICYCLOALKYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1983-12-07 EP disclosed
EP-0081054-A2 Azabicyclo alkyl derivatives BEECHAM GROUP PLC (GB) 1983-06-15 EP disclosed
US-4336259-A DOPAMINE ANTAGONIST, NERVOUS SYSTEM DISORDERS AND GASTROINTESTINAL DISORDERS BEECHAM GROUP LIMITED (GB) 1982-06-22 US disclosed
EP-0042705-A1 Azabicycloalkane derivatives, their preparation and use BEECHAM GROUP PLC (GB) 1981-12-30 EP disclosed
US-4273778-A TREATMENT OF GASTROINTESTINAL DISORDERS, NERVOUS SYSTEM DISORDERS, AND PSYCHOLOGICAL DISORDERS BEECHAM GROUP, LIMITED (GB) 1981-06-16 US disclosed
EP-0013138-A1 Azabicycloalkyl derivatives, a process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1980-07-09 EP 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 (1 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-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A MAPK1 4000/4885CHRNA7 1091/4885LMNA 2708/4885

“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.