SCHEMBL3406277

SCHEMBL3406277

COC(=O)CC(=O)c1nccc(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.45
▸ MTNR1B P49286 2/20 0.45
▸ IDO1 P14902 1/20 0.36
▸ TXNRD1 Q16881 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SYK P43405 2/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NNMT P40261 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL27884234 0.83 MTNR1A (0.43) MTNR1AMTNR1BIDO1POLBTDP1
SCHEMBL31344571 0.80 ALDH1A1 (0.47) MTNR1AMTNR1BPOLBTDP1KDM4E
SCHEMBL20931377 0.79 P2RX7 (0.52) MTNR1AMTNR1BPOLBKDM4EALDH1A1
SCHEMBL31749088 0.78 MTNR1A (0.40) MTNR1AMTNR1BPOLBTDP1SYK
SCHEMBL2723992 0.78 KMO (0.50) MTNR1AMTNR1BPOLBTDP1SYK
SCHEMBL882971 0.78 MTNR1A (0.47) MTNR1AMTNR1BPOLBTDP1SYK
SCHEMBL31403767 0.78 MTNR1A (0.47) MTNR1AMTNR1BPOLBTDP1SYK
SCHEMBL5160977 0.77 P2RX7 (0.47) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL6635914 0.77 KDR (0.44) MTNR1AMTNR1BPOLBTDP1KDM4E
SCHEMBL28051846 0.76 NNMT (0.50) MTNR1AMTNR1BPOLBTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102648199-A Piperidine compound and use thereof ASTRAZENECA AB 2012-08-22 — — CN disclosed
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 — — EP disclosed
EP-2158199-A1 PIPERIDINE COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2010-03-03 — — EP disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 — — WO disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 — — WO disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 — — US disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 — — US disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 — — 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-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR MTNR1A 1564/4885MTNR1B 474/4885IDO1 445/4885

“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.

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