SCHEMBL4416844

SCHEMBL4416844

Cc1ccc(C2(CC(=O)O)CCN(C(=O)OC(C)(C)C)CC2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.48
ATM Q13315 1/20 0.43
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
CCR5 P51681 7/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
LMNA P02545 1/20 0.40
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL10306241 0.91 MEN1 (0.49) TACR1ATMTSHRALOX15MEN1
SCHEMBL4160740 0.90 TACR1 (0.48) TACR1ATMTSHRALOX15MEN1
SCHEMBL14272846 0.90 CCR5 (0.46) TACR1ATMTSHRALOX15MEN1
SCHEMBL4166875 0.90 TACR1 (0.48) TACR1ATMTSHRALOX15OPRD1
SCHEMBL10306289 0.87 TACR1 (0.50) TACR1ATMTSHRALOX15MEN1
SCHEMBL4542548 0.85 TACR1 (0.49) TACR1ATMTSHRALOX15OPRD1
SCHEMBL5026906 0.84 JAK2 (0.45) TACR1
SCHEMBL19226428 0.84 TACR1 (0.60) TACR1ATMTSHRALOX15OPRD1
SCHEMBL4159626 0.83 HSD11B1 (0.56) TACR1ATMTSHRALOX15MEN1
SCHEMBL17078067 0.83 MEN1 (0.51) TACR1MEN1KMT2AOPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558577-B1 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2009-12-30 EP disclosed
US-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 US disclosed
EP-1613601-A4 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2007-05-02 EP disclosed
US-20060128752-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-15 US disclosed
EP-1613601-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co. Inc. (US) 2006-01-11 EP disclosed
WO-2004089307-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO. INC. (US) 2004-10-21 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-20060128752-A1 Chemical compounds HTR7, NPSR1, TACR2 TACR1 6/4885ATM 3525/4885TSHR 40/4885

“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.