SCHEMBL12372577

SCHEMBL12372577

CC(C)(C)OC(=O)N1CCC(N2CCc3ccccc3NC2=N)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
TP53 P04637 1/20 0.45
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
NAMPT P43490 1/20 0.44
CALCRL Q16602 6/20 0.43
RAMP1 O60894 4/20 0.43
KDM1A O60341 2/20 0.43
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCD Q05655 1/20 0.42
FPR2 P25090 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 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
SCHEMBL1820339 0.89 CALCRL (0.50) MAPK1GPR119TP53PRMT5WDR77
SCHEMBL2604336 0.81 CALCRL (0.58) MAPK1NAMPTCALCRLRAMP1
SCHEMBL2707784 0.81 GPR119 (0.52) MAPK1GPR119TP53PRMT5WDR77
SCHEMBL10330728 0.77 CALCRL (0.52) CALCRLRAMP1
SCHEMBL12372576 0.76 HTR2C (0.48) CALCRLRAMP1
SCHEMBL7498089 0.75 GPR119 (0.46) MAPK1GPR119TP53PRMT5WDR77
SCHEMBL3256867 0.75 GPR119 (0.48) GPR119TP53NAMPT
SCHEMBL13884862 0.75 FPR2 (0.49) GPR119TP53CALCRLRAMP1FPR2
SCHEMBL11102417 0.75 MAPK1 (0.48) MAPK1GPR119TP53PRMT5WDR77
SCHEMBL11102413 0.75 MAPK1 (0.48) MAPK1GPR119TP53PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994325-B2 ligands for Calcitonin gene related peptide; azepinone ligands; migranes; N-[5-(2,3-Difluorophenyl)-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide MERCK SHARP & DOHME CORP. (US) 2011-08-09 US disclosed
US-20080261972-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-10-23 US 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-20080261972-A1 Cgrp Receptor Antagonists BDKRB1, CALCRL, NPY1R MAPK1 2912/4885GPR119 287/4885TP53 4881/4885

“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.