SCHEMBL4648020

SCHEMBL4648020

CCOC(=O)[C@@H](N)Cc1ccc(-c2c(OC)cc(C#N)cc2OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 6/20 0.48
DPP4 P27487 2/20 0.41
ALDH1A1 P00352 1/20 0.40
ACACB O00763 2/20 0.38
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
HPGD P15428 1/20 0.37
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
SCN9A Q15858 1/20 0.37
GPR142 Q7Z601 1/20 0.36
CNR2 P34972 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CTSH P09668 1/20 0.35
CYP2D6 P10635 1/20 0.35
CTSK P43235 1/20 0.35
CTSC P53634 1/20 0.35

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 SCHEMBL4648016 0.99 TPH1 (0.48) TPH1DPP4ALDH1A1ACACBFNTA
Hydrochloric Acid SCHEMBL4648024 0.99 TPH1 (0.48) TPH1DPP4ALDH1A1ACACBFNTA
SCHEMBL4649538 0.91 ALDH1A1 (0.49) TPH1DPP4ALDH1A1ACACBITGB1
Hydrochloric Acid SCHEMBL4649536 0.90 ALDH1A1 (0.51) TPH1DPP4ALDH1A1ACACBITGB1
Hydrochloric Acid SCHEMBL4649540 0.90 ALDH1A1 (0.51) TPH1DPP4ALDH1A1ACACBITGB1
SCHEMBL14586456 0.88 DPP4 (0.44) TPH1DPP4ALDH1A1ACACBITGB1
SCHEMBL919730 0.85 TPH1 (0.52) TPH1DPP4ALDH1A1SCN9ACNR2
Hydrochloric Acid SCHEMBL919728 0.84 TPH1 (0.53) TPH1DPP4ALDH1A1SCN9ACNR2
Hydrochloric Acid SCHEMBL27504082 0.84 TPH1 (0.53) TPH1DPP4ALDH1A1SCN9ACNR2
SCHEMBL918869 0.83 TPH1 (0.51) TPH1ALDH1A1ITGB1ITGA4SCN9A

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-1701933-B1 NOVEL COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-03 EP disclosed
US-20070043113-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2007-02-22 US disclosed
EP-1701933-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2006-09-20 EP disclosed
WO-2005061440-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2005-07-07 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 (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-20070043113-A1 Novel compounds VCAM1, ICAM1, EPCAM TPH1 384/4885DPP4 62/4885ALDH1A1 2146/4885

“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.