SCHEMBL1762072

SCHEMBL1762072

CCC[C@H](N)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.42
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
AOC3 Q16853 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SLC6A4 P31645 1/20 0.39
DPP4 P27487 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL3406829 1.00 SLC2A1 (0.42) SLC2A1IDO1TDO2AOC3ALDH1A1
Hydrochloric Acid SCHEMBL2034769 0.98 SLC2A1 (0.45) SLC2A1IDO1TDO2AOC3ALDH1A1
SCHEMBL23222166 0.89 SLC2A1 (0.48) SLC2A1AOC3ALDH1A1SLC6A4
SCHEMBL1728650 0.88 SLC2A1 (0.51) SLC2A1IDO1TDO2AOC3SLC6A4
SCHEMBL1729608 0.88 SLC2A1 (0.51) SLC2A1IDO1TDO2AOC3SLC6A4
SCHEMBL5448531 0.88 SLC2A1 (0.51) SLC2A1IDO1TDO2AOC3SLC6A4
SCHEMBL22129792 0.86 SLC2A1 (0.58) SLC2A1IDO1TDO2AOC3SLC6A4
SCHEMBL11076863 0.82 DPP4 (0.44) IDO1TDO2AOC3DPP4MAOA
SCHEMBL1728781 0.82 SLC6A4 (0.57) IDO1TDO2AOC3SLC6A4DPP4
SCHEMBL1364755 0.82 SLC6A4 (0.57) IDO1TDO2AOC3SLC6A4DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937064-B2 Pyrazolo[1,5-a]pyrimidines useful as JAK2 inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-20 US disclosed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
US-8420679-B2 Aminothiazole derivatives and their use as CRF receptor ligands SANOFI (FR) 2013-04-16 US disclosed
EP-2516436-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-10-31 EP disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO disclosed
US-20110118255-A1 PYRAZOLO[1,5-a]PYRIMIDINES USEFUL AS JAK2 INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-19 US disclosed
US-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands SANOFI-AVENTIS (FR) 2007-12-06 US disclosed
EP-1200419-B1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI SYNTHELABO (FR) 2004-04-14 EP disclosed
US-6586456-B1 Corticotropin releasing factor (CRF) antagonists such as (4-(2-chloro-4-methoxy-5-methylphenyl)-5-methylthiazol-2-yl)(( (1-(3-fluoro-4-methylphenyl)-2-methoxyethyl))prop-2-ynylamine, prepared by alkylation with propagyl bromide SANOFI-SYNTHELABO (FR) 2003-07-01 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 (3 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-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands CRH, CRHR1, CRHR2 SLC2A1 3178/4885IDO1 3043/4885TDO2 2241/4885
US-20110118255-A1 PYRAZOLO[1,5-a]PYRIMIDINES USEFUL AS JAK2 INHIBITORS JAK2, JAK1, JAK3 SLC2A1 4376/4885IDO1 435/4885TDO2 1606/4885
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 SLC2A1 4854/4885IDO1 449/4885TDO2 3345/4885

“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.