SCHEMBL2560108

SCHEMBL2560108

FC(F)(F)c1cc(Cl)nc(N2CCOCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
KMT2A Q03164 3/20 0.54
NPSR1 Q6W5P4 1/20 0.49
CNR2 P34972 1/20 0.46
PIK3CA P42336 4/20 0.45
MTOR P42345 3/20 0.45
PIK3R1 P27986 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
TSHR P16473 1/20 0.43
NR4A1 P22736 1/20 0.43
HTT P42858 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
CRHBP P24387 1/20 0.43

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
SCHEMBL21464300 0.83 AKT1 (0.63) MAPTCYP1A2CYP2D6KMT2ANPSR1
SCHEMBL30826759 0.83 AKT1 (0.63) MAPTCYP1A2CYP2D6KMT2ANPSR1
SCHEMBL21541014 0.83 CYP1A2 (0.60) MAPTCYP1A2CYP2D6KMT2ANPSR1
SCHEMBL12398684 0.83 MTOR (0.53) MAPTCYP1A2CYP2D6KMT2ANPSR1
SCHEMBL16340599 0.81 ADRB1 (0.56) MAPTNPSR1CNR2PIK3CAMTOR
SCHEMBL25431906 0.81 ADRB1 (0.59) MAPTCYP1A2KMT2AKDM4EALDH1A1
SCHEMBL15541949 0.81 HTR3E (0.53) ALDH1A1
SCHEMBL2563293 0.80 GAA (0.43) MAPTCYP1A2CYP2D6NPSR1CNR2
SCHEMBL29434160 0.80 MAPT (0.65) MAPTCYP1A2CYP2D6KMT2ANPSR1
SCHEMBL29434159 0.80 MAPT (0.65) MAPTCYP1A2CYP2D6KMT2ANPSR1

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 MAPT 3431/4885CYP1A2 1203/4885CYP2D6 3203/4885

“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.