SCHEMBL4675824

SCHEMBL4675824

[CH2]CN(CC1CCCCC1)CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.40
OPRM1 P35372 9/20 0.36
OPRD1 P41143 9/20 0.36
OPRK1 P41145 9/20 0.36
ADRA1B P35368 1/20 0.33
CHRM5 P08912 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL4512115 0.86 ALOX5 (0.33) ALOX5OPRM1OPRD1OPRK1
SCHEMBL5512680 0.83 ALOX5 (0.46) ALOX5OPRM1OPRD1OPRK1ADRA1B
SCHEMBL16559079 0.74 CYP1A2 (0.42) ALOX5OPRM1OPRD1OPRK1ADRA1B
SCHEMBL12018411 0.74 CYP1A2 (0.42) ALOX5OPRM1OPRD1OPRK1ADRA1B
SCHEMBL20900599 0.74 CYP1A2 (0.42) ALOX5OPRM1OPRD1OPRK1ADRA1B
SCHEMBL23879509 0.72 ALOX5 (0.48) ALOX5ADRA1BCHRM5CYP1A2ADRA2C
SCHEMBL9016983 0.72 ALOX5 (0.39) ALOX5OPRM1OPRD1OPRK1ADRA1B
SCHEMBL9016981 0.72 ALOX5 (0.39) ALOX5OPRM1OPRD1OPRK1ADRA1B
SCHEMBL8040461 0.70 CYP1A2 (0.39) ALOX5OPRM1OPRD1OPRK1ADRA1B
SCHEMBL1778409 0.70 ALOX5 (0.41) ALOX5OPRM1OPRD1OPRK1ADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US claimed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US claimed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US claimed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US claimed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US claimed
EP-1778633-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-12-03 EP disclosed
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP disclosed
US-20080188473-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-08-07 US disclosed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US disclosed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 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 (4 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R ALOX5 353/4885OPRM1 72/4885OPRD1 253/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R ALOX5 353/4885OPRM1 72/4885OPRD1 253/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R ALOX5 505/4885OPRM1 29/4885OPRD1 73/4885
US-20080188473-A1 Indoles Useful in the Treatment of Inflammation IDO1, PTGS1, PTGER1 ALOX5 66/4885OPRM1 214/4885OPRD1 137/4885

“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.