SCHEMBL4530902

SCHEMBL4530902

Cc1cccc(C)c1C1CCN(Cc2c(C(=O)O)[nH]c3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
MCL1 Q07820 5/20 0.48
HTR2A P28223 1/20 0.47
FOLH1 Q04609 1/20 0.45
BCL2 P10415 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44

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
Hydrochloric Acid SCHEMBL4525276 0.99 KDM4E (0.51) KDM4EALDH1A1HTTMEN1MAPT
Trifluoroacetic Acid SCHEMBL5305556 0.92 KDM4E (0.45) KDM4EALDH1A1HTTMEN1MAPT
SCHEMBL4527564 0.90 ALDH1A1 (0.48) KDM4EALDH1A1HTTMEN1MAPT
SCHEMBL4518021 0.89 KDM4E (0.47) KDM4EALDH1A1HTTMEN1MAPT
SCHEMBL4525069 0.88 MCL1 (0.50) KDM4EALDH1A1HTTMEN1MAPT
SCHEMBL4518515 0.88 ALDH1A1 (0.46) KDM4EALDH1A1HTTMEN1MAPT
SCHEMBL4510224 0.88 KDM4E (0.46) KDM4EALDH1A1HTTMEN1MAPT
SCHEMBL4528287 0.88 KDM4E (0.46) KDM4EALDH1A1HTTMEN1MAPT
SCHEMBL4519807 0.87 MEN1 (0.51) KDM4EALDH1A1HTTMEN1MAPT
SCHEMBL4523951 0.87 KDM4E (0.46) KDM4EALDH1A1HTTMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841755-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2007-10-10 EP claimed
WO-2006070001-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2006-07-06 WO claimed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 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 (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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 KDM4E 4525/4885ALDH1A1 395/4885HTT 4645/4885

“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.