SCHEMBL428104

SCHEMBL428104

Cc1ccc2c(c1)N(CC1CCN(C)CC1)CC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.41
OPRM1 P35372 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.41
SLC22A12 Q96S37 1/20 0.35
CHRM3 P20309 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CNR1 P21554 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
ACHE P22303 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL448065 0.86 OPRD1 (0.40) OPRD1OPRM1OPRK1OPRL1SLC22A12
SCHEMBL428205 0.84 KDM1A (0.38) OPRD1OPRM1OPRK1OPRL1SLC22A12
SCHEMBL4102749 0.82 ACHE (0.47) ALDH1A1ACHEFFAR4
SCHEMBL5628091 0.78 CYP1A2 (0.31) ACHE
SCHEMBL428109 0.77 CHRM2 (0.40) OPRD1OPRM1OPRK1OPRL1CHRM3
SCHEMBL13867987 0.74 DRD2 (0.34) OPRD1OPRM1OPRK1OPRL1SLC22A12
SCHEMBL11914456 0.74 OPRD1 (0.37) OPRD1OPRM1OPRK1SLC22A12ALDH1A1
SCHEMBL426352 0.71 SIGMAR1 (0.38) ALDH1A1ACHEFFAR4
SCHEMBL3894046 0.70 OPRD1 (0.37) OPRD1OPRM1OPRK1SLC22A12CNR1
SCHEMBL5986105 0.70 ALDH1A1 (0.40) OPRD1OPRM1OPRK1OPRL1SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7307088-B2 Substituted anthranilic amide derivatives and methods of use AMGEN INC. (US) 2007-12-11 US disclosed
US-7307088-B2 Substituted anthranilic amide derivatives and methods of use AMGEN INC. (US) 2007-12-11 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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO OPRD1 2051/4885OPRM1 894/4885OPRK1 1315/4885

“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.