SCHEMBL4526552

SCHEMBL4526552

C[CH]N(C)Cc1cccc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.54
CAMKK2 Q96RR4 1/20 0.54
AOC3 Q16853 1/20 0.53
TAAR1 Q96RJ0 3/20 0.50
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
HSD17B2 P37059 2/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
CMA1 P23946 1/20 0.46
KMT2A Q03164 2/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
G6PC1 P35575 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL4680665 0.83 AOC3 (0.67) CALM1CAMKK2AOC3TAAR1IDO1
SCHEMBL1134084 0.82 KMT2A (0.61) CALM1CAMKK2AOC3TAAR1IDO1
SCHEMBL29547354 0.82 CALM1 (0.64) CALM1CAMKK2AOC3TAAR1IDO1
SCHEMBL850832 0.82 CALM1 (0.64) CALM1CAMKK2AOC3TAAR1IDO1
SCHEMBL14492586 0.79 AOC3 (0.70) CALM1CAMKK2AOC3TAAR1IDO1
SCHEMBL30093216 0.79 CALM1 (0.60) CALM1CAMKK2AOC3TAAR1IDO1
SCHEMBL4513601 0.78 PYCR1 (0.51) AOC3TAAR1IDO1AGXTKMT2A
SCHEMBL4526554 0.77 CALM1 (0.55) CALM1CAMKK2AOC3TAAR1IDO1
SCHEMBL14920640 0.77 TAAR1 (0.55) CALM1CAMKK2AOC3TAAR1IDO1
SCHEMBL24706949 0.76 CALM1 (0.54) CALM1CAMKK2AOC3TAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US claimed
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
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 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
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN 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 (3 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 CALM1 2493/4885CAMKK2 2126/4885AOC3 1403/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R CALM1 2493/4885CAMKK2 2126/4885AOC3 1403/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R CALM1 2185/4885CAMKK2 2055/4885AOC3 1064/4885

“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.