SCHEMBL5367694

SCHEMBL5367694

CC(C)(C)OC(=O)N(Cc1ccccc1N)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.54
CHRM2 P08172 4/20 0.52
CHRM3 P20309 4/20 0.52
HSD11B1 P28845 1/20 0.48
SIGMAR1 Q99720 2/20 0.46
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
KCNH2 Q12809 1/20 0.44
ACHE P22303 2/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL5366253 0.86 OPRM1 (0.50) OPRM1CHRM2CHRM3HSD11B1SIGMAR1
SCHEMBL28696384 0.86 HSD11B1 (0.50) OPRM1HSD11B1
SCHEMBL22391801 0.84 HSD11B1 (0.51) HSD11B1HTR2A
SCHEMBL16054269 0.83 OPRM1 (0.59) OPRM1CHRM2CHRM3HSD11B1SIGMAR1
SCHEMBL14410252 0.83 HSD11B1 (0.43) HSD11B1UBE2MDCUN1D1HTR2A
SCHEMBL5378020 0.82 OPRM1 (0.48) OPRM1CHRM2CHRM3HSD11B1SIGMAR1
SCHEMBL14417237 0.80 SLC6A4 (0.50) CHRM3KCNH2
Hydrochloric Acid SCHEMBL8480640 0.80 OPRM1 (0.52) OPRM1CHRM2CHRM3HSD11B1SIGMAR1
SCHEMBL28741984 0.80 OPRM1 (0.53) OPRM1CHRM2CHRM3SIGMAR1KCNH2
SCHEMBL8189152 0.80 CCR5 (0.58) OPRM1CHRM2CHRM3SIGMAR1ACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US disclosed
WO-2007053145-A1 HALOPERIDOL ANALOGS FLORIDA A & M UNIVERSITY (US) 2007-05-10 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 OPRM1 18/4885CHRM2 112/4885CHRM3 78/4885

“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.