SCHEMBL2428429

SCHEMBL2428429

CN1CCN(C2(CNC(=O)C3(C)CCCCC3C3=Cc4ccccc4NC3)CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47
OPRM1 P35372 2/20 0.47
HCN1 O60741 6/20 0.46
HCN4 Q9Y3Q4 6/20 0.45
TP53 P04637 4/20 0.44
LMNA P02545 4/20 0.42
THRB P10828 3/20 0.42
MAPT P10636 1/20 0.38
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL2433931 0.76 OPRM1 (0.52) SIGMAR1OPRM1HCN1HCN4TP53
SCHEMBL2431727 0.75 PDK1 (0.32) LMNA
SCHEMBL2433928 0.67 SIGMAR1 (0.48) SIGMAR1OPRM1HCN1HCN4TP53
SCHEMBL2428426 0.67 SIGMAR1 (0.46) SIGMAR1OPRM1HCN1HCN4TP53
SCHEMBL2427131 0.63
SCHEMBL4374266 0.61 OPRM1 (0.51) SIGMAR1OPRM1HCN1HCN4TP53
SCHEMBL16233192 0.60 TP53 (0.73) SIGMAR1OPRM1HCN1HCN4TP53
SCHEMBL2437368 0.60 SIRT1 (0.31)
SCHEMBL2435594 0.60 IDO1 (0.35) LMNA
SCHEMBL16233224 0.58 HCN1 (0.61) SIGMAR1OPRM1HCN1HCN4TP53

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-20110212946-A1 Quinolone Neuropeptide S Receptor Antagonists MERCK SHARP & DOHME LLC 2011-09-01 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-20110212946-A1 Quinolone Neuropeptide S Receptor Antagonists NPSR1, NPY1R, NPY2R SIGMAR1 194/4885OPRM1 145/4885HCN1 1820/4885

“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.