SCHEMBL10306241

SCHEMBL10306241

Cc1ccc(C2(CC(=O)O)CCN(C(=O)OC(C)(C)C)CC2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TACR1 P25103 1/20 0.48
CCR5 P51681 7/20 0.47
ATM Q13315 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL14272846 0.92 CCR5 (0.46) MEN1KMT2ATACR1CCR5ATM
SCHEMBL4416844 0.91 TACR1 (0.48) MEN1KMT2ATACR1CCR5ATM
SCHEMBL4160740 0.88 TACR1 (0.48) MEN1KMT2ATACR1CCR5ATM
SCHEMBL17078067 0.86 MEN1 (0.51) MEN1KMT2ATACR1CCR5OPRD1
SCHEMBL4166875 0.86 TACR1 (0.48) TACR1CCR5ATMOPRD1OPRK1
SCHEMBL4542548 0.85 TACR1 (0.49) TACR1CCR5ATMOPRD1OPRK1
SCHEMBL10306289 0.85 TACR1 (0.50) MEN1KMT2ATACR1CCR5ATM
SCHEMBL4414050 0.84 CCR5 (0.53) MEN1KMT2ATACR1CCR5ATM
SCHEMBL19226428 0.82 TACR1 (0.60) TACR1CCR5ATMOPRD1OPRK1
SCHEMBL14272923 0.82 CCR5 (0.49) MEN1KMT2ATACR1CCR5ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940401-B1 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2012-07-11 EP disclosed
US-7652024-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-01-26 US disclosed
US-7652024-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-01-26 US disclosed
US-20090325990-A1 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-12-31 US disclosed
US-20090325990-A1 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-12-31 US disclosed
WO-2007047496-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-04-26 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 (1 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-20090325990-A1 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC3R MEN1 2115/4885KMT2A 1161/4885TACR1 195/4885

“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.