SCHEMBL2563293

SCHEMBL2563293

O=C(Cl)c1cc(C(F)(F)F)cc(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.43
STAT3 P40763 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AKT1 P31749 1/20 0.42
KMO O15229 1/20 0.42
RAF1 P04049 5/20 0.41
BRAF P15056 5/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
ALDH1A1 P00352 3/20 0.41
CNR2 P34972 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
PIK3CA P42336 1/20 0.40
MCHR1 Q99705 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2562660 0.88 KMO (0.52) GAAKDM4ENPSR1MAPTSTAT3
SCHEMBL2560108 0.80 MAPT (0.58) KDM4ENPSR1MAPTAKT1RAF1
SCHEMBL12398684 0.76 MTOR (0.53) KDM4ENPSR1MAPTAKT1RAF1
SCHEMBL28475339 0.75 CES2 (0.45) MAPT
SCHEMBL16340599 0.74 ADRB1 (0.56) KDM4ENPSR1MAPTRAF1BRAF
SCHEMBL4824081 0.72 CSF1R (0.49) GAAMAPTKMORAF1BRAF
SCHEMBL2566953 0.72 KDM4E (0.46) KDM4ENPSR1MAPTSMN1; SMN2AKT1
Hydrochloric Acid SCHEMBL26695120 0.71 IRAK4 (0.52) GAAKDM4EKMOPIK3CDALDH1A1
SCHEMBL30762418 0.70 BRAF (0.42) KDM4EMAPTSTAT3SMN1; SMN2RAF1
SCHEMBL5446060 0.70 AKR1C3 (0.43) GAAKDM4ENPSR1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222668-B1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARM INC (US) 2011-11-02 EP disclosed
CN-101945862-A Tetrahydrocyclopenta [ b ] indol-3-yl carboxylic acid derivatives for the treatment of autoimmune and inflammatory disorders ARENA PHARM INC 2011-01-12 CN disclosed
US-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
EP-2222668-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals, Inc. (US) 2010-09-01 EP disclosed
WO-2009078983-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2009-06-25 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-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR3, S1PR2 GAA 4561/4885KDM4E 3648/4885NPSR1 448/4885

“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.