SCHEMBL4518256

SCHEMBL4518256

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
MCL1 Q07820 4/20 0.41
MAPK14 Q16539 2/20 0.40
HTR2A P28223 2/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 2/20 0.40
HTT P42858 2/20 0.39
CCR3 P51677 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HRH4 Q9H3N8 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
SCHEMBL4528863 0.95 HTR2A (0.41) OPRL1OPRM1OPRK1MCL1MAPK14
SCHEMBL4519160 0.90 DRD2 (0.43) MCL1MAPK14DRD2DRD3HTT
SCHEMBL4520883 0.89 HRH4 (0.49) OPRM1OPRK1MCL1HTR2ADRD2
Hydrochloric Acid SCHEMBL4525039 0.88 HTR2A (0.51) OPRL1OPRM1OPRK1MCL1MAPK14
SCHEMBL4515176 0.87 LMNA (0.46) MCL1HTR2ADRD2HTTMEN1
SCHEMBL4528376 0.87 MCL1 (0.42) OPRL1OPRM1OPRK1MCL1HTR2A
SCHEMBL4529569 0.87 HTR2A (0.43) MCL1HTR2ADRD2HTTMEN1
SCHEMBL4513920 0.87 AKR1C3 (0.46) MCL1HTR2AHTTMEN1KMT2A
SCHEMBL4708555 0.86 DRD2 (0.40) MCL1DRD2DRD3CCR3MEN1
Hydrochloric Acid SCHEMBL4522613 0.85 HTR2A (0.42) OPRL1OPRM1OPRK1MCL1MAPK14

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 2 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
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US 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 OPRL1 2/4885OPRM1 10/4885OPRK1 6/4885

“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.