SCHEMBL4520958

SCHEMBL4520958

CN(c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1)S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.49
TSHR P16473 2/20 0.46
GPR119 Q8TDV5 5/20 0.45
SMARCA2 P51531 1/20 0.45
SMARCA4 P51532 1/20 0.45
PBRM1 Q86U86 1/20 0.45
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NAMPT P43490 1/20 0.44
KIT P10721 1/20 0.43
TGM2 P21980 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
STS P08842 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42

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
SCHEMBL5335208 0.86 GPR119 (0.50) MC4RGPR119SMARCA2SMARCA4PBRM1
SCHEMBL5335663 0.85 MC4R (0.55) MC4RTSHRGPR119SMARCA2SMARCA4
SCHEMBL4513699 0.83 TSHR (0.50) TSHRALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL5346578 0.82 MC4R (0.57) MC4RTSHRGPR119SMARCA2SMARCA4
SCHEMBL5337267 0.81 MC4R (0.52) MC4RTSHRGPR119SMARCA2SMARCA4
SCHEMBL5332549 0.81 MC4R (0.70) MC4R
SCHEMBL5338171 0.80 MC4R (0.53) MC4RTSHRGPR119SMARCA2SMARCA4
SCHEMBL5331626 0.80 MC4R (0.55) MC4RTSHRGPR119CKS1BSKP1
SCHEMBL5343864 0.80 GPR119 (0.43) MC4RGPR119SMARCA2SMARCA4PBRM1
SCHEMBL8332423 0.80 GPR119 (0.49) GPR119MAPTNAMPTSTS

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-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP disclosed
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP 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-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 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 (2 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 MC4R 2/4885TSHR 271/4885GPR119 7/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MC4R 2/4885TSHR 271/4885GPR119 7/4885

“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.