SCHEMBL2991828

SCHEMBL2991828

O=C(O)C1(C2CCCCC2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
ABCB11 O95342 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP2C9 P11712 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD1 P21728 1/20 0.44
HRH2 P25021 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SCN1A P35498 1/20 0.44
THPO P40225 1/20 0.44

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
SCHEMBL7876266 1.00 CYP3A4 (0.44) CYP3A4LMNATSHRABCB11CYP1A2
SCHEMBL50170 1.00 CYP3A4 (0.44) CYP3A4LMNATSHRABCB11CYP1A2
SCHEMBL2532088 1.00 CYP3A4 (0.44) CYP3A4LMNATSHRABCB11CYP1A2
SCHEMBL8796429 1.00 CYP3A4 (0.44) CYP3A4LMNATSHRABCB11CYP1A2
SCHEMBL2530342 1.00 CYP3A4 (0.44) CYP3A4LMNATSHRABCB11CYP1A2
SCHEMBL10938537 1.00 CYP3A4 (0.44) CYP3A4LMNATSHRABCB11CYP1A2
SCHEMBL27831122 0.98 CYP3A4 (0.42) CYP3A4LMNATSHRABCB11CYP1A2
Hydrochloric Acid SCHEMBL4359891 0.98 CYP3A4 (0.45) CYP3A4LMNATSHRABCB11CYP1A2
SCHEMBL1682648 0.98 LMNA (0.41) CYP3A4LMNATSHRABCB11CYP1A2
SCHEMBL1052271 0.95 CYP3A4 (0.40) CYP3A4LMNATSHRABCB11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101014578-B Triazole derivative or salt thereof ASTELLAS PHARMA INC 2011-01-19 CN disclosed
US-7776897-B2 such as 3-[1-(5-chloro-2-thienyl)cyclopenty]-5,6,7,8,9,10-hexahydro [1,2,4]triazolo[4,3-a]azocine, having a strong 11 beta -hydroxysteroid dehydrogenase type 1inhibitory activity and exhibiting an excellent blood-glucose level-lowering action, used for the therapy of diabetes and insulin resistance ASTELLAS PHARMA INC. (JP) 2010-08-17 US disclosed
US-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 US disclosed
CN-101014578-A Triazole derivative or salt thereof ASTELLAS PHARMA INC (JP) 2007-08-08 CN disclosed
EP-1790641-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-30 EP disclosed
US-6468998-B1 ANTAGONIZE SEROTONIN 2 RECEPTORS, SUPPRESS PLATELET AGGREGATION, IMPROVE PERIPHERAL CIRCULATION AND PROMOTE LACHRYMATION MITSUBISHI PHARMA CORPORATION (JP) 2002-10-22 US disclosed
CN-1332726-A Pyrrolidine compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2002-01-23 CN disclosed
EP-1125922-A1 PYRROLIDINE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF Welfide Corporation (JP) 2001-08-22 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-20070259854-A1 Triazole Derivative or Salt Thereof HSD11B1, HSD11B2, HSD3B1 CYP3A4 148/4885LMNA 4230/4885TSHR 1826/4885

“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.