SCHEMBL3814043

SCHEMBL3814043

CCN([CH]Cc1ccc(Cl)cc1)CC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.46
CNR2 P34972 1/20 0.39
AOC3 Q16853 1/20 0.38
IDO1 P14902 1/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CCR5 P51681 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL3241607 0.78 MAOB (0.48) KCNH2CNR2AOC3SLC6A2SLC6A3
SCHEMBL9153358 0.71 IDO1 (0.42) KCNH2AOC3IDO1SLC6A2SLC6A3
SCHEMBL10803409 0.71 KCNH2 (0.77) KCNH2CCR5
SCHEMBL10803397 0.71 KCNH2 (0.77) KCNH2CCR5
SCHEMBL2123502 0.70 IDO1 (0.46) KCNH2AOC3IDO1SLC6A2SLC6A3
SCHEMBL27645313 0.70 KCNH2 (0.53) KCNH2AOC3IDO1SLC6A2SLC6A3
SCHEMBL27545170 0.68 KCNH2 (0.44) KCNH2IDO1SLC6A2SLC6A3TAAR1
SCHEMBL453913 0.67 IDO1 (0.48) IDO1SLC6A2SLC6A3TAAR1HTR2A
SCHEMBL5506050 0.67 IDO1 (0.48) IDO1SLC6A2SLC6A3TAAR1HTR2A
SCHEMBL9136930 0.67 IDO1 (0.48) KCNH2AOC3IDO1SLC6A2SLC6A3

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-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 US disclosed
US-9872846-B2 High penetration compositions and uses thereof TECHFIELDS PHARMA CO., LTD. (CN) 2018-01-23 US disclosed
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2017-07-27 US disclosed
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF PREMIER RESEARCH INTERNATIONAL, LLC 2017-07-27 US disclosed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 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 (4 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-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES KCNH2 4441/4885CNR2 820/4885AOC3 3589/4885
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES KCNH2 4441/4885CNR2 820/4885AOC3 3589/4885
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES KCNH2 4441/4885CNR2 820/4885AOC3 3589/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES KCNH2 4441/4885CNR2 820/4885AOC3 3589/4885

“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.