SCHEMBL430337

SCHEMBL430337

Cn1cc(C2(CN)CCCC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.51
▸ SLC6A3 Q01959 3/20 0.51
▸ SLC6A2 P23975 2/20 0.51
▸ HTR2A P28223 1/20 0.46
▸ DPP4 P27487 1/20 0.45
▸ IDO1 P14902 1/20 0.44
▸ GPR84 Q9NQS5 1/20 0.44
▸ MGAM O43451 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 1/20 0.43
▸ MTNR1A P48039 6/20 0.41
▸ MTNR1B P49286 6/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ IMPDH2 P12268 1/20 0.41

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
SCHEMBL9470625 0.88 HTR2A (0.48) SLC6A4SLC6A3SLC6A2HTR2AIDO1
SCHEMBL9470399 0.86 HTR2A (0.46) SLC6A4SLC6A3SLC6A2HTR2AIDO1
SCHEMBL9470524 0.81 IMPDH2 (0.45) HTR2AGPR84MGAMGAASI
SCHEMBL9470297 0.77 MTNR1B (0.44) SLC6A4SLC6A3SLC6A2MTNR1AMTNR1B
SCHEMBL25155560 0.76 MGAM (0.48) HTR2AIDO1GPR84MGAMGAA
SCHEMBL14595569 0.74 MGAM (0.49) SLC6A4SLC6A3SLC6A2MGAMGAA
SCHEMBL9470319 0.74 LMNA (0.57) GAAMTNR1AMTNR1BALDH1A1
SCHEMBL9470861 0.73 ALDH1A1 (0.49) GPR84MGAMGAASIMGAM2
SCHEMBL5645456 0.73 IMPDH2 (0.49) HTR2AGPR84MGAMGAASI
SCHEMBL28944633 0.71 MGAM (0.41) HTR2AGPR84MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 — — US disclosed
EP-2412708-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-02-01 — — EP disclosed
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-01-26 — — US disclosed
US-7208505-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-04-24 — — US disclosed
US-7208505-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-04-24 — — US disclosed
US-5219859-A Chloesterol acyltransferase inhibitors; antilipemic agents; antidiabetic agents; atherosclerosis LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1993-06-15 — — 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 (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-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE ENDOD1, CNBP, DPP4 SLC6A4 2033/4885SLC6A3 4094/4885SLC6A2 4362/4885

“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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