SCHEMBL428205

SCHEMBL428205

Cc1ccc2c(c1)N(CC1CCNCC1)CC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
HTR2C P28335 4/20 0.36
HTR2B P41595 3/20 0.36
HTR2A P28223 2/20 0.36
HTR7 P34969 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
DRD2 P14416 1/20 0.34
HTR1A P08908 2/20 0.33
HTR3A P46098 2/20 0.33
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
EIF4E P06730 1/20 0.32
MKNK1 Q9BUB5 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
SCHEMBL3894046 0.86 OPRD1 (0.37) KDM1AOPRM1OPRD1OPRK1SLC22A12
SCHEMBL428104 0.84 OPRD1 (0.41) OPRM1OPRD1OPRK1OPRL1SLC22A12
SCHEMBL447387 0.82 HTT (0.36)
SCHEMBL13867987 0.80 DRD2 (0.34) OPRM1OPRD1OPRK1OPRL1HTR2B
SCHEMBL5627064 0.78 DRD2 (0.32) DRD2EIF4EMKNK1MKNK2FPR2
SCHEMBL429593 0.77 HTR2C (0.43) KDM1AHTR2CHTR2BHTR2AHTR7
SCHEMBL448065 0.70 OPRD1 (0.40) OPRM1OPRD1OPRK1OPRL1SLC22A12
SCHEMBL11914456 0.69 OPRD1 (0.37) OPRM1OPRD1OPRK1SLC22A12
SCHEMBL5986105 0.67 ALDH1A1 (0.40) OPRM1OPRD1OPRK1OPRL1SLC22A12
SCHEMBL4102749 0.67 ACHE (0.47) HTR2ASIGMAR1DRD2MEN1CYP2D6

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 11 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
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP 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 KDM1A 1115/4885OPRM1 894/4885OPRD1 2051/4885

“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.