SCHEMBL2563365

SCHEMBL2563365

O=C(OC1CCCC1)c1ccc(OC2CCCC2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
STS P08842 4/20 0.46
PDE4B Q07343 6/20 0.45
PDE4D Q08499 6/20 0.45
PDE4A P27815 5/20 0.45
PDE4C Q08493 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP2D6 P10635 1/20 0.44
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
PDE5A O76074 1/20 0.43
MAPK14 Q16539 1/20 0.42
JMJD6 Q6NYC1 1/20 0.41

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
SCHEMBL20021947 0.87 PDE4B (0.53) KMT2APDE4BPDE4DPDE4APDE4C
SCHEMBL2562290 0.85 KMT2A (0.59) KMT2APDE4BPDE4DPDE4APDE4C
SCHEMBL31535406 0.84 PDE4B (0.50) KMT2APDE4BPDE4DPDE4APDE4C
SCHEMBL8154363 0.84 PDE4B (0.50) KMT2APDE4BPDE4DPDE4APDE4C
SCHEMBL31535540 0.82 KMT2A (0.56) KMT2APDE4BPDE4DPDE4APDE4C
SCHEMBL16533471 0.81 NOTUM (0.50) KMT2APDE4BPDE4DPDE4APDE4C
SCHEMBL8156201 0.81 PARP10 (0.58) KMT2APDE4BPDE4DPDE4APDE4C
SCHEMBL8888177 0.80 CYP2D6 (0.61) KMT2APDE4BPDE4DPDE4APDE4C
SCHEMBL1918596 0.79 PDE4D (0.49) STSPDE4BPDE4DPDE4APDE4C
SCHEMBL2543514 0.78 KMT2A (0.51) KMT2APDE4BPDE4DPDE4APDE4C

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 KMT2A 3974/4885STS 1426/4885PDE4B 1439/4885

“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.