Sugi Predict

Sugi Predict / Compounds / SCHEMBL4528863

SCHEMBL4528863

SCHEMBL4528863

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.41
▸ DRD2 P14416 4/20 0.41
▸ DRD3 P35462 3/20 0.41
▸ MCL1 Q07820 3/20 0.41
▸ MAPK14 Q16539 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ OPRL1 P41146 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ PARP1 P09874 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
SCHEMBL4518256 0.95 OPRL1 (0.42) HTR2ADRD2DRD3MCL1MAPK14
SCHEMBL4520883 0.91 HRH4 (0.49) HTR2ADRD2DRD3MCL1HTT
Hydrochloric Acid SCHEMBL4525039 0.90 HTR2A (0.51) HTR2AMCL1MAPK14HTTKDM4E
SCHEMBL4513266 0.89 DRD2 (0.44) HTR2ADRD2DRD3MCL1HTT
SCHEMBL4515176 0.89 LMNA (0.46) HTR2ADRD2MCL1HTTKDM4E
SCHEMBL4528376 0.89 MCL1 (0.42) HTR2ADRD2DRD3MCL1HTT
SCHEMBL4529569 0.89 HTR2A (0.43) HTR2ADRD2MCL1HTTKDM4E
SCHEMBL4513920 0.88 AKR1C3 (0.46) HTR2AMCL1HTTKDM4EHPGD
Hydrochloric Acid SCHEMBL4522613 0.87 HTR2A (0.42) HTR2AMCL1MAPK14HTTKDM4E
Hydrochloric Acid SCHEMBL4513138 0.87 HTR2A (0.48) HTR2ADRD2MAPK14HTTKDM4E

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 HTR2A 126/4885DRD2 148/4885DRD3 213/4885

“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.