SCHEMBL5377735

SCHEMBL5377735

O=C1Nc2ccccc2CN1C1CCN(C2CC[N]CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
OGFRL1 Q5TC84 1/20 0.49
CALCRL Q16602 9/20 0.48
CTSS P25774 8/20 0.46
CYP3A4 P08684 1/20 0.45
CHRM4 P08173 1/20 0.45
RAMP1 O60894 1/20 0.45

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
SCHEMBL3279615 0.92 BRD4 (0.50) CALCRLCTSSCHRM4RAMP1
SCHEMBL3964481 0.87 OPRM1 (0.49) OPRM1OPRD1OPRK1OGFRL1CALCRL
SCHEMBL13801369 0.86 OPRM1 (0.48) OPRM1OPRD1OPRK1OGFRL1CALCRL
SCHEMBL14410235 0.84 CALCRL (0.51) OPRM1OPRD1OPRK1OGFRL1CALCRL
SCHEMBL2872824 0.83 BRD4 (0.56) CALCRLCTSSCHRM4RAMP1
SCHEMBL13313600 0.82 BRD4 (0.57) CALCRLCTSSCHRM4RAMP1
SCHEMBL3967246 0.82 CHRM4 (0.65) CALCRLCTSSCHRM4RAMP1
SCHEMBL3278838 0.81 CALCRL (0.44) CALCRLCTSSRAMP1
SCHEMBL12400687 0.81 CHRM4 (0.50) CALCRLCTSSCHRM4RAMP1
SCHEMBL14410234 0.80 CALCRL (0.50) OPRM1OPRD1OPRK1OGFRL1CALCRL

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 claimed
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

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 18/4885OPRD1 31/4885OPRK1 35/4885

“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.