SCHEMBL4530536

SCHEMBL4530536

CN1CCN(C(=O)c2[nH]c3ccc(F)cc3c2CN2CCC(c3c(Cl)cccc3Cl)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
HRH4 Q9H3N8 11/20 0.46
CCR3 P51677 1/20 0.39
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MPO P05164 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL4529774 0.91 DRD2 (0.46) DRD2DRD4DRD3CCR3CNR1
SCHEMBL4520883 0.88 HRH4 (0.49) DRD2DRD3HRH4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4504863 0.84 HRH4 (0.46) HRH4KDM4EPOLBALDH1A1
Hydrochloric Acid SCHEMBL4781170 0.81 DRD2 (0.47) DRD2DRD4DRD3CNR1KDM4E
SCHEMBL4528863 0.80 HTR2A (0.41) DRD2DRD3HRH4KDM4EALDH1A1
SCHEMBL4515176 0.79 LMNA (0.46) DRD2KDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL4529569 0.79 HTR2A (0.43) DRD2KDM4EPOLBTSHRALDH1A1
SCHEMBL4510872 0.79 HRH3 (0.43) HRH4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4525039 0.79 HTR2A (0.51) KDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL4529531 0.78 KDM4E (0.45) DRD2DRD3HRH4KDM4EALDH1A1

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 DRD2 148/4885DRD4 430/4885DRD3 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.