SCHEMBL4529569

SCHEMBL4529569

O=C(c1[nH]c2ccccc2c1CN1CCC(c2c(Cl)cccc2Cl)CC1)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MCL1 Q07820 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CHRNA7 P36544 1/20 0.41
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 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
Hydrochloric Acid SCHEMBL4518426 0.94 MEN1 (0.47) HTR2AKDM4EMCL1MEN1KMT2A
SCHEMBL4531335 0.92 KMT2A (0.41) HTR2AKDM4EPOLBRXFP1MCL1
SCHEMBL4504655 0.91 MCL1 (0.45) HTR2AKDM4EPOLBMCL1MEN1
SCHEMBL4520883 0.90 HRH4 (0.49) HTR2AKDM4EMCL1MEN1KMT2A
Hydrochloric Acid SCHEMBL4522613 0.90 HTR2A (0.42) HTR2AKDM4EMCL1MEN1KMT2A
SCHEMBL4515176 0.90 LMNA (0.46) HTR2AKDM4EMCL1MEN1KMT2A
Hydrochloric Acid SCHEMBL4504863 0.90 HRH4 (0.46) HTR2AKDM4EPOLBRXFP1MCL1
Hydrochloric Acid SCHEMBL4513138 0.90 HTR2A (0.48) HTR2AKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4525039 0.90 HTR2A (0.51) HTR2AKDM4EMCL1MEN1KMT2A
Hydrochloric Acid SCHEMBL4516276 0.90 MCL1 (0.49) HTR2AKDM4EMCL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US claimed
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
EP-1676843-A1 Substituted indole ligands for the ORL-1 receptor NIKEM RESEARCH S.R.L. (IT) 2006-07-05 EP claimed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
EP-1841755-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2007-10-10 EP disclosed
WO-2006070001-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2006-07-06 WO disclosed
EP-1676843-A1 Substituted indole ligands for the ORL-1 receptor NIKEM RESEARCH S.R.L. (IT) 2006-07-05 EP 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 HTR2A 126/4885KDM4E 4525/4885POLB 4604/4885

“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.