SCHEMBL1448948

SCHEMBL1448948

CCCCN(C(=O)Nc1ccc(F)cc1F)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.49
▸ PPARD Q03181 1/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ SLC6A2 P23975 4/20 0.48
▸ SLC6A4 P31645 4/20 0.48
▸ HTT P42858 1/20 0.48
▸ SOAT1 P35610 1/20 0.46
▸ UBE2M P61081 3/20 0.45
▸ DCUN1D1 Q96GG9 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43

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 SCHEMBL841464 0.99 PPARG (0.49) PPARGPPARDPPARASLC6A2SLC6A4
SCHEMBL3805770 0.82 DCUN1D1 (0.41) SLC6A2SLC6A4UBE2MDCUN1D1
SCHEMBL9269080 0.81 PPARG (0.53) PPARGPPARDPPARAHTTSOAT1
SCHEMBL9269084 0.81 PPARG (0.53) PPARGPPARDPPARAHTTSOAT1
Trifluoroacetic Acid SCHEMBL6731864 0.79 PPARG (0.59) PPARGPPARDPPARASLC6A2SLC6A4
SCHEMBL27266162 0.78 PPARG (0.57) PPARGPPARDPPARAHTTUBE2M
SCHEMBL9260551 0.77 PPARG (0.67) PPARGPPARDPPARAHTTSOAT1
SCHEMBL9269044 0.77 SOAT1 (0.46) PPARGPPARDPPARASOAT1UBE2M
SCHEMBL27745186 0.76 UBE2M (0.47) PPARGPPARDPPARASOAT1UBE2M
SCHEMBL12169907 0.75 PPARG (0.51) PPARGPPARDPPARAUBE2MDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385040-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO Pharmaceutical Co., Ltd. (JP) 2011-11-09 — — EP disclosed
US-7910741-B2 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 — — US disclosed
US-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-10 — — US disclosed
EP-1604981-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-14 — — 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-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient HLA-DRB1, ELANE, MMP8 PPARG 1738/4885PPARD 2320/4885PPARA 3359/4885

“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.

Send feedback