SCHEMBL4528866

SCHEMBL4528866

C[CH]N(C)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
ALDH1A1 P00352 2/20 0.58
AOC3 Q16853 1/20 0.54
CYP2C19 P33261 1/20 0.47
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 2/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRK1 P41145 1/20 0.45
SLC6A3 Q01959 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
SCHEMBL18618721 0.82 TSHR (0.54) TSHRALDH1A1AOC3CYP2C19CARM1
SCHEMBL3239638 0.79 TSHR (0.56) TSHRALDH1A1AOC3CYP2C19CARM1
SCHEMBL967209 0.79 TSHR (0.56) TSHRALDH1A1AOC3CYP2C19CARM1
SCHEMBL7736618 0.79 TSHR (0.56) TSHRALDH1A1AOC3CYP2C19CARM1
SCHEMBL1536053 0.79 TSHR (0.56) TSHRALDH1A1AOC3CYP2C19CARM1
SCHEMBL479292 0.78 TSHR (0.54) TSHRALDH1A1AOC3CYP2C19CARM1
SCHEMBL4530527 0.77 LOXL2 (0.39) ALDH1A1CYP2C19NPC1RAB9AUSP2
Hydrochloric Acid SCHEMBL9344078 0.77 TSHR (0.54) TSHRALDH1A1AOC3CYP2C19CARM1
SCHEMBL23335699 0.76 TSHR (0.52) TSHRALDH1A1AOC3CYP2C19CARM1
SCHEMBL18811850 0.76 TSHR (0.52) TSHRALDH1A1AOC3CYP2C19CARM1

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 29 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-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 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
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP claimed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP 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-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO claimed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO claimed
EP-0063359-B1 1,4-DIHYDROPYRIDINE DERIVATIVES AND PROCESSES FOR PREPARING THE SAME BANYU PHARMACEUTICAL CO., LTD. (JP) 1985-12-11 EP claimed
US-10358437-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-07-23 US disclosed
US-10316023-B2 2019-06-11 US disclosed
US-20170334883-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO disclosed
EP-0445987-A2 Novel process for producing 2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate-3-methyl ester-5-beta-(N-benzyl-N-methylamino)ethyl ester HIGASHIKAWA, Tetsuro (JP) 1991-09-11 EP disclosed
EP-0101023-B1 PROCESS FOR PREPARING 2-CARBAMOYLOXYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND INTERMEDIATES USEFUL FOR THE PROCESS BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-07-29 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 (6 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 TSHR 271/4885ALDH1A1 686/4885AOC3 1403/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R TSHR 271/4885ALDH1A1 686/4885AOC3 1403/4885
US-10316023-B2 PKD1, NHERF1, PCSK6 TSHR 4010/4885ALDH1A1 1008/4885AOC3 4132/4885
US-20170334883-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF PKD1, NHERF1, HDAC10 TSHR 3749/4885ALDH1A1 782/4885AOC3 3917/4885
US-10358437-B2 Therapeutic compounds and uses thereof PKD1, NHERF1, HDAC10 TSHR 3749/4885ALDH1A1 782/4885AOC3 3917/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R TSHR 303/4885ALDH1A1 423/4885AOC3 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.