SCHEMBL4926545

SCHEMBL4926545

CC(C)(C)OC(=O)N1CCC(C(=O)c2cc3ccccc3o2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.55
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 2/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
STS P08842 3/20 0.52
GPR119 Q8TDV5 1/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
BACE1 P56817 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL1257051 0.80 EPHX2 (0.51) MMP13RAB9AALDH1A1NPC1HPGD
SCHEMBL1257053 0.80 EPHX2 (0.51) MMP13RAB9AALDH1A1NPC1HPGD
SCHEMBL1257355 0.79 POLB (0.48) MMP13RAB9AALDH1A1NPC1HPGD
SCHEMBL14154597 0.78 ALDH1A1 (0.53) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL29200527 0.78 KMT2A (0.52) RAB9ANPC1STSGPR119PTPN2
SCHEMBL441012 0.76 KDM4E (0.62) HPGDSTSGPR119PTPN2PTPN1
SCHEMBL6300387 0.76 BACE1 (0.56) MMP13ALDH1A1GPR119HRH4MAPT
SCHEMBL1256910 0.76 HRH4 (0.49) MMP13RAB9AALDH1A1NPC1HPGD
SCHEMBL1256912 0.76 HRH4 (0.49) MMP13RAB9AALDH1A1NPC1HPGD
SCHEMBL9003283 0.75 STS (0.54) HPGDSTSGPR119PTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176903-A1 Novel Compounds with Analgesic Effect ASTRAZENECA CANADA INC. (CA) 2008-07-24 US disclosed
US-20080176903-A1 Novel Compounds with Analgesic Effect ASTRAZENECA CANADA INC. (CA) 2008-07-24 US disclosed
US-7312336-B2 Compounds with analgesic effect ASTRAZENECA CANADA INC. (CA) 2007-12-25 US disclosed
US-7312336-B2 Compounds with analgesic effect ASTRAZENECA CANADA INC. (CA) 2007-12-25 US disclosed
US-7312336-B2 Compounds with analgesic effect ASTRAZENECA CANADA INC. (CA) 2007-12-25 US disclosed
EP-0946511-B1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRAZENECA AB (SE) 2005-05-25 EP disclosed
US-20040171612-A1 Novel compounds with analgesic effect ASTRAZENECA CANADA INC. 2004-09-02 US disclosed
US-6693117-B2 PIPERIDIN-4-YLIDENE DERIVATIVES ASTRAZENECA CANADA INC. (CA) 2004-02-17 US disclosed
US-20030149023-A1 Novel compounds with analgesic effect ASTRAZENECA CANADA INC. 2003-08-07 US disclosed
US-6455545-B2 GASTROINTESTINAL DISORDERS ASTRAZENECA CANADA INC. (CA) 2002-09-24 US disclosed
US-20010021715-A1 Novel compounds with analgesic effect ASTRA PHARMA INC. 2001-09-13 US disclosed
US-6187792-B1 PIPERIDIN-4-METHYLIDENE-4-BENZAMIDE DERIVATIVES; OPOID RECEPTOR ANTAGONISTS; CANCER PAIN ASTRA PHARMA INC. (CA) 2001-02-13 US disclosed
EP-0946511-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1999-10-06 EP disclosed
WO-1998028275-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1998-07-02 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 (4 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-20010021715-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 MMP13 1694/4885RAB9A 2356/4885ALDH1A1 313/4885
US-20030149023-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 MMP13 1694/4885RAB9A 2356/4885ALDH1A1 313/4885
US-20080176903-A1 Novel Compounds with Analgesic Effect OPRL1, OPRK1, OPRM1 MMP13 1337/4885RAB9A 2088/4885ALDH1A1 656/4885
US-20040171612-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 MMP13 1694/4885RAB9A 2356/4885ALDH1A1 313/4885

“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.