SCHEMBL4529774

SCHEMBL4529774

O=C(c1[nH]c2ccc(F)cc2c1CN1CCC(c2c(Cl)cccc2Cl)CC1)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
GAA P10253 1/20 0.42
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
ADRB2 P07550 1/20 0.39
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MPO P05164 1/20 0.38
CNR1 P21554 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
CCR3 P51677 2/20 0.37

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
SCHEMBL4530536 0.91 DRD2 (0.47) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL4529569 0.88 HTR2A (0.43) DRD2ALDH1A1HPGDKDM4EPOLB
Hydrochloric Acid SCHEMBL4781170 0.83 DRD2 (0.47) DRD2DRD4DRD3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4518426 0.82 MEN1 (0.47) ALDH1A1HPGDADRB2KDM4ETSHR
SCHEMBL4531335 0.80 KMT2A (0.41) ALDH1A1HPGDADRB2KDM4EPOLB
SCHEMBL4504655 0.80 MCL1 (0.45) ALDH1A1KDM4EPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL4513138 0.79 HTR2A (0.48) DRD2ALDH1A1ADRB2HSD11B1KDM4E
Hydrochloric Acid SCHEMBL4504863 0.79 HRH4 (0.46) ALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL4522613 0.79 HTR2A (0.42) ALDH1A1HPGDKDM4EOPRM1OPRK1
SCHEMBL4520883 0.79 HRH4 (0.49) DRD2DRD3ALDH1A1HPGDKDM4E

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.