SCHEMBL4918600

SCHEMBL4918600

CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc3ccccc23)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 17/20 1.00
OPRK1 P41145 7/20 1.00
KCNH2 Q12809 2/20 0.61
ABCB11 O95342 1/20 0.61

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
SCHEMBL1602494 0.89 OPRD1 (0.79) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL4927674 0.84 OPRD1 (1.00) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5432433 0.83 OPRD1 (0.71) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL4924161 0.83 OPRD1 (1.00) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL4922241 0.83 OPRD1 (0.70) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL4929285 0.82 OPRD1 (0.79) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL4928931 0.82 OPRD1 (0.72) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL4929198 0.82 OPRD1 (1.00) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL12730803 0.82 OPRD1 (0.72) OPRD1OPRM1OPRK1KCNH2ABCB11
Hydrochloric Acid SCHEMBL29874927 0.82 OPRD1 (0.97) 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 9 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-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

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.