SCHEMBL4923006

SCHEMBL4923006

CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(SC)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 19/20 1.00
OPRM1 P35372 16/20 1.00
OPRK1 P41145 6/20 0.74
KCNH2 Q12809 2/20 0.64
ABCB11 O95342 1/20 0.64

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
SCHEMBL4924161 0.85 OPRD1 (1.00) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL4926572 0.85 OPRD1 (0.81) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5391009 0.85 OPRD1 (0.80) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL4932388 0.84 OPRD1 (1.00) OPRD1OPRM1OPRK1KCNH2ABCB11
Hydrochloric Acid SCHEMBL29874927 0.84 OPRD1 (0.97) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL4932444 0.84 OPRD1 (1.00) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL14154611 0.84 OPRD1 (0.78) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5447953 0.84 OPRD1 (0.78) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL4931159 0.83 OPRD1 (0.76) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL4930585 0.82 OPRD1 (1.00) OPRD1OPRM1OPRK1KCNH2ABCB11

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 OPRD1 4/4885OPRM1 3/4885OPRK1 2/4885
US-20030149023-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 OPRD1 4/4885OPRM1 3/4885OPRK1 2/4885
US-20080176903-A1 Novel Compounds with Analgesic Effect OPRL1, OPRK1, OPRM1 OPRD1 4/4885OPRM1 3/4885OPRK1 2/4885
US-20040171612-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 OPRD1 4/4885OPRM1 3/4885OPRK1 2/4885

“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.