SCHEMBL3666637

SCHEMBL3666637

CC(O[C]=O)C1CNCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.36
SLC6A4 P31645 14/20 0.36
SLC6A3 Q01959 8/20 0.36
MLNR O43193 1/20 0.34
ADRB2 P07550 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2C P28335 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH1 P35367 1/20 0.32

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
SCHEMBL6444451 0.80 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL27513995 0.80 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL557367 0.78 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL13745155 0.77 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL3306396 0.77 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL2893124 0.75 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL27591243 0.75 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL2635584 0.74 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL27793824 0.74 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL3302718 0.74 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MLNRADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP claimed
EP-2758389-B1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-06-07 EP claimed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
US-9394282-B2 Pyrazole carboxamides as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-19 US claimed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US claimed
US-20140235641-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS INTERVET INC. 2014-08-21 US claimed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US claimed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP claimed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO claimed
US-11912721-B2 Fused pentacyclic imidazole derivatives UCB Biopharma SRL (BE) 2024-02-27 US disclosed
EP-3412663-B1 NITROGEN-CONTAINING HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2022-09-07 EP disclosed
US-20220235047-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME bc1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE SHIONOGI & CO., LTD. (JP) 2022-07-28 US disclosed
EP-4028130-A1 BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION Shionogi & Co., Ltd (JP) 2022-07-20 EP disclosed
WO-2022119899-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME BC1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN SHIONOGI & CO., LTD. (JP) 2022-06-09 WO disclosed
EP-2752410-A1 HETEROCYCLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY Shionogi & Co., Ltd. (JP) 2014-07-09 EP disclosed
WO-2014065434-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-05-01 WO disclosed
WO-2014009295-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed
WO-2013043962-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013041042-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 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 (5 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 SLC6A2 4741/4885SLC6A4 4753/4885SLC6A3 4832/4885
US-20220235047-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME bc1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE CYC1, MT-CO1, ABCB11 SLC6A2 1738/4885SLC6A4 1745/4885SLC6A3 1917/4885
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 SLC6A2 4841/4885SLC6A4 4819/4885SLC6A3 4839/4885
US-20140235641-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 SLC6A2 4879/4885SLC6A4 4851/4885SLC6A3 4860/4885
US-11912721-B2 Fused pentacyclic imidazole derivatives TNF, NFKBIA, TNFRSF1A SLC6A2 4260/4885SLC6A4 3290/4885SLC6A3 4155/4885

“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.