SCHEMBL4526554

SCHEMBL4526554

CCN(C)Cc1cccc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.55
CAMKK2 Q96RR4 1/20 0.55
AOC3 Q16853 1/20 0.54
KMT2A Q03164 3/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
TAAR1 Q96RJ0 3/20 0.51
IDO1 P14902 2/20 0.51
AGXT P21549 2/20 0.51
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.49
HSD17B2 P37059 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49

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
SCHEMBL15790970 0.92 BCHE (0.56) CALM1CAMKK2AOC3KMT2ABCHE
SCHEMBL1134084 0.91 KMT2A (0.61) CALM1CAMKK2AOC3KMT2ABCHE
SCHEMBL30093216 0.87 CALM1 (0.60) CALM1CAMKK2AOC3KMT2ABCHE
SCHEMBL15308564 0.86 BCHE (0.58) CALM1CAMKK2AOC3KMT2ABCHE
SCHEMBL9416597 0.84 ACHE (0.59) CALM1CAMKK2AOC3KMT2ABCHE
SCHEMBL17475575 0.84 TSHR (0.65) CALM1CAMKK2AOC3KMT2ABCHE
SCHEMBL29547354 0.83 CALM1 (0.64) CALM1CAMKK2AOC3KMT2ABCHE
SCHEMBL850832 0.83 CALM1 (0.64) CALM1CAMKK2AOC3KMT2ABCHE
SCHEMBL4680668 0.83 AOC3 (0.69) CALM1CAMKK2AOC3ACHETAAR1
SCHEMBL27419663 0.82 ACHE (0.64) CALM1CAMKK2AOC3KMT2ABCHE

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 25 patents — showing the first 20. 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
WO-2021101919-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-27 WO disclosed
WO-2019180207-A1 TRAF 6 INHIBITORS Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2019-09-26 WO disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP 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
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO 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 (5 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 CALM1 2632/4885CAMKK2 3574/4885AOC3 358/4885
US-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R CALM1 2493/4885CAMKK2 2126/4885AOC3 1403/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 CALM1 2632/4885CAMKK2 3574/4885AOC3 358/4885
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.