SCHEMBL4528376

SCHEMBL4528376

O=C(c1[nH]c2ccccc2c1CN1CCC(c2c(Cl)cccc2Cl)CC1)N1CCN(CCC2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.42
ACHE P22303 2/20 0.41
CHRM3 P20309 1/20 0.40
DRD2 P14416 7/20 0.39
DRD3 P35462 7/20 0.39
CNR1 P21554 1/20 0.39
OPRL1 P41146 2/20 0.38
BCHE P06276 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 1/20 0.38

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 SCHEMBL4522961 0.91 CNR1 (0.45) MCL1CNR1OPRL1OPRM1OPRK1
SCHEMBL4528863 0.89 HTR2A (0.41) MCL1DRD2DRD3OPRL1OPRM1
SCHEMBL4529569 0.89 HTR2A (0.43) MCL1DRD2KDM4EMEN1ALDH1A1
SCHEMBL4531335 0.88 KMT2A (0.41) MCL1CNR1KDM4EMEN1ALDH1A1
SCHEMBL4504655 0.87 MCL1 (0.45) MCL1KDM4EMEN1ALDH1A1MAPT
SCHEMBL4518256 0.87 OPRL1 (0.42) MCL1DRD2DRD3OPRL1OPRM1
SCHEMBL4520883 0.87 HRH4 (0.49) MCL1DRD2DRD3OPRM1OPRK1
SCHEMBL4513920 0.86 AKR1C3 (0.46) MCL1ACHEBCHEKDM4EMEN1
Hydrochloric Acid SCHEMBL4525039 0.86 HTR2A (0.51) MCL1ACHEOPRL1BCHEOPRM1
SCHEMBL4515176 0.85 LMNA (0.46) MCL1CHRM3DRD2KDM4EMEN1

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 6 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
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

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 MCL1 1303/4885ACHE 2561/4885CHRM3 176/4885

“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.