SCHEMBL4564976

SCHEMBL4564976

C=CCOC(=O)N1CCC(N(C(N)=O)c2cccnc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A15 Q9H2J7 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
CYP2C19 P33261 3/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NOS2 P35228 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRIN2B Q13224 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
NOS1 P29475 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR1D1 P20393 1/20 0.34

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
SCHEMBL3064320 0.89 CYP2C19 (0.50) CYP2C19LMNARAB9ANOS2ALDH1A1
SCHEMBL1285381 0.85 SMN1; SMN2 (0.54) GPR119CYP2C19RAB9AMEN1KMT2A
SCHEMBL3063074 0.82 RPLP1 (0.38) CYP2C19LMNAALDH1A1MEN1KMT2A
SCHEMBL27267490 0.82 POLB (0.55) GPR119MEN1KMT2APOLB
SCHEMBL4762750 0.78 ALDH1A1 (0.43) CYP2C19ALDH1A1SMN1; SMN2KCNH2
SCHEMBL4565359 0.76 NOS2 (0.51) SLC6A15GPR119CYP2C19LMNAMAPK1
SCHEMBL27769658 0.76 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL27092754 0.76 CHRM3 (0.53) MEN1KMT2A
SCHEMBL30006056 0.76 CHRM3 (0.53) MEN1KMT2A
SCHEMBL19873844 0.75 OPRD1 (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176986-A1 Process for the Preparation of Pyridine Heterocycle Cgrp Antagonist Intermediate MERCK SHARP & DOHME CORP. 2009-07-09 US claimed

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-20090176986-A1 Process for the Preparation of Pyridine Heterocycle Cgrp Antagonist Intermediate CCKBR, CALCRL, CALCR SLC6A15 1158/4885GPR119 429/4885CYP2C19 723/4885

“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.