SCHEMBL12243151

SCHEMBL12243151

CC1CCN(C(=O)N2CCCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
CA2 P00918 1/20 0.50
CHKA P35790 1/20 0.50
NPC1 O15118 1/20 0.50
HSD11B1 P28845 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LIPE Q05469 1/20 0.47
HPGD P15428 1/20 0.46
ACHE P22303 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PHGDH O43175 1/20 0.43
MGLL Q99685 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
SCHEMBL24242893 1.00 ALDH1A1 (0.61) ALDH1A1CA2CHKANPC1HSD11B1
SCHEMBL2606069 0.98 ALDH1A1 (0.56) ALDH1A1CA2CHKANPC1HSD11B1
SCHEMBL25446918 0.91 ALDH1A1 (0.58) ALDH1A1NPC1MEN1KMT2ALIPE
SCHEMBL21577698 0.83 ALDH1A1 (0.52) ALDH1A1CA2CHKAHSD11B1MEN1
SCHEMBL23815948 0.83 ALDH1A1 (0.50) ALDH1A1NPC1MEN1KMT2ALIPE
SCHEMBL18855590 0.82 ALDH1A1 (0.50) ALDH1A1NPC1MEN1KMT2ALIPE
SCHEMBL14417827 0.82 ALDH1A1 (0.50) ALDH1A1NPC1MEN1KMT2ALIPE
SCHEMBL22624391 0.81 EPHX2 (0.53) ALDH1A1NPC1MEN1KMT2ALIPE
SCHEMBL19884740 0.81 CA2 (0.60) ALDH1A1CA2CHKANPC1MEN1
SCHEMBL13779985 0.80 ALDH1A1 (0.48) ALDH1A1NPC1MEN1KMT2ALIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
US-8017779-B2 Nitrogen containing heterocyclyl substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-09-13 US disclosed
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-13 US disclosed
US-7268150-B2 2-cyano-4-fluoropyrrolidine derivative or its salt YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-11 US disclosed
US-7268150-B2 2-cyano-4-fluoropyrrolidine derivative or its salt YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-11 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 (2 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-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines IL2, IFNG, IRF3 ALDH1A1 2879/4885CA2 3847/4885CHKA 1249/4885
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR ALDH1A1 157/4885CA2 233/4885CHKA 3633/4885

“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.