SCHEMBL3071813

SCHEMBL3071813

O=[C]C(c1ccccc1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
HTR1E P28566 1/20 0.42
S1PR3 Q99500 1/20 0.42
CHRM3 P20309 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX1 P07099 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL2170788 0.98 IDO1 (0.46) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL7115970 0.90 IDO1 (0.44) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL8910008 0.81 CYP19A1 (0.42) MAPTGAAL3MBTL1EPHX1KDM4E
SCHEMBL959762 0.81 SLC6A3 (0.58) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL13124077 0.81 SLC6A3 (0.58) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL8909681 0.80 CYP11B2 (0.44) MAPTKDM4EPKMSLC6A3
SCHEMBL961019 0.78 SLC6A3 (0.57) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL28135586 0.76 IDO1 (0.47) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL961750 0.74 SLC6A3 (0.53) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL28013782 0.74 IDO1 (0.46) IDO1MEN1KMT2ALMNAMAPT

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US claimed
CN-101052397-B 2-sulfanyl-benzoimidazol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS LTD 2011-07-06 CN claimed
US-20100234396-A1 Tetrhydropyridoindole Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2010-09-16 US claimed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US claimed
EP-1725553-B1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-07 EP claimed
CN-101052397-A 2-sulfanyl-benzoimidazol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-10-10 CN claimed
US-20070191416-A1 Tetrahydropyridoindole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 US claimed
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP claimed
EP-1725553-A1 TETRAHYDROPYRIDOINDOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-11-29 EP claimed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO claimed
WO-2005095397-A1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 WO claimed
US-6388081-B1 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries LION BIOSCIENCE AG (DE) 2002-05-14 US claimed
US-6262269-B1 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries TREGA BIOSCIENCES, INC. 2001-07-17 US claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
WO-1993020061-A1 4-[4'-PIPERIDINYL OR 3'-PIRROLIDINYL] SUBSTITUTED IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS AND THERAPEUTIC USES THEREOF THE UNIVERSITY OF TOLEDO (US) 1993-10-14 WO disclosed
WO-1993020062-A1 PROCESS FOR THE PREPARATION OF 4-PYRIDYL- AND 4-PIPERIDINYLIMIDAZOLES USEFUL AS INTERMEDIATES FOR THE SYNTHESIS OF HISTAMINE RECEPTOR ANTAGONISTS THE UNIVERSITY OF TOLEDO (US) 1993-10-14 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 (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-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 IDO1 808/4885MEN1 4731/4885KMT2A 3454/4885
US-20100234396-A1 Tetrhydropyridoindole Derivatives TPH2, TPH1, HTR5A IDO1 50/4885MEN1 2370/4885KMT2A 2219/4885
US-20070191416-A1 Tetrahydropyridoindole derivatives TPH2, TPH1, HTR2C IDO1 62/4885MEN1 1990/4885KMT2A 1552/4885

“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.