SCHEMBL553979

SCHEMBL553979

COC1=CC[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 13/20 0.68
▸ OPRD1 P41143 11/20 0.68
▸ OPRK1 P41145 8/20 0.68
▸ MRGPRX2 Q96LB1 3/20 0.68
▸ PDE4D Q08499 2/20 0.68
▸ LMNA P02545 1/20 0.68
▸ ADRB1 P08588 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL12006856 1.00 OPRM1 (0.68) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL16731962 1.00 OPRM1 (0.68) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL18458103 1.00 OPRM1 (0.68) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL10079544 1.00 OPRM1 (0.68) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL16731963 1.00 OPRM1 (0.68) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL18458105 1.00 OPRM1 (0.68) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL12006829 1.00 OPRM1 (0.68) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL18473436 1.00 OPRM1 (0.68) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL18720200 0.91 OPRM1 (0.62) OPRM1OPRD1OPRK1MRGPRX2PDE4D
SCHEMBL20077640 0.91 OPRM1 (0.64) OPRM1OPRD1OPRK1MRGPRX2PDE4D

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348430-B2 Production of opioid analgesics ACURA PHARMACEUTICALS, INC. (US) 2008-03-25 — — US claimed
US-20060167258-A1 Production of opioid analgesics SCHUTTE, JOHN 2006-07-27 — — US claimed
US-4940586-A Skin permeation enhancer compositions using sucrose esters ALZA CORPORATION (US) 1990-07-10 — — US claimed
EP-3071575-B1 PREPARATION OF NORMORPHINANS SpecGx LLC (US) 2019-11-13 — — EP disclosed
US-10406153-B2 Process for the preparation of benzhydrocodone hydrochloride NORAMCO, INC. (US) 2019-09-10 — — US disclosed
US-10155771-B2 Selective reduction of morphinan alkaloids NORAMCO, INC. (US) 2018-12-18 — — US disclosed
US-20180055836-A1 PROCESS FOR THE PREPARATION OF BENZHYDROCODONE HYDROCHLORIDE NORAMCO, INC. (US) 2018-03-01 — — US disclosed
EP-2328899-B1 PROCESSES FOR THE SYNTHESIS OF FIVE AND SIX MEMBERED HETEROCYCLIC RINGS MALLINCKRODT LLC (US) 2018-01-24 — — EP disclosed
US-9808452-B2 Polysubunit opioid prodrugs resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2017-11-07 — — US disclosed
US-9657027-B2 Processes for making hydrocodone, hydromorphone and their derivatives JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-05-23 — — US disclosed
US-9657028-B2 Processes for making hydrocodone, hydromorphone and their derivatives JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-05-23 — — US disclosed
US-4423221-A ANALGESICS, NARCOTIC ANTAGONIST SISA PHARMACEUTICAL LABORATORIES, INC. (US) 1983-12-27 — — US disclosed
EP-0019254-B1 7-METHYL AND 7-METHYL-8-LOWER ALKYL B/C CIS OR TRANS MORPHINAN-6-ONE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM MILES LABORATORIES, INC. (US) 1982-09-01 — — EP disclosed
EP-0023576-B1 7- AND 7,8-SUBSTITUTED 4,5-ALPHA-EPOXYMORPHINAN-6-ONES AND THERAPEUTICALLY ACTIVE COMPOSITIONS CONTAINING THEM MILES LABORATORIES, INC. (US) 1982-06-23 — — EP disclosed
US-4272541-A 7,8 and 7-8 Substituted 4,5α-epoxymorphinan-6-one compounds, and methods of treating pain and drug dependence with them MILES LABORATORIES, INC. (US) 1981-06-09 — — US disclosed
EP-0023576-A1 7- and 7,8-substituted 4,5-alpha-epoxymorphinan-6-ones and therapeutically active compositions containing them MILES LABORATORIES, INC. (US) 1981-02-11 — — EP disclosed
US-4242514-A Method for the introduction of a methyl group into the 7 position of the morphinan nucleus MILES LABORATORIES, INC. (US) 1980-12-30 — — US disclosed
US-4242514-A Method for the introduction of a methyl group into the 7 position of the morphinan nucleus MILES LABORATORIES, INC. (US) 1980-12-30 — — US disclosed
US-4230712-A ANALGESIC AND NARCOTIC ANTAGONISTS MILES LABORATORIES, INC. (US) 1980-10-28 — — US disclosed
US-4025521-A REDUCTION OF THEBAINE WITH POTASSIUM IN LIQUID AMMONIA SHARPS ASSOCIATES (US) 1977-05-24 — — 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-10155771-B2 Selective reduction of morphinan alkaloids QDPR, CA5B, COX5B OPRM1 56/4885OPRD1 161/4885OPRK1 70/4885
US-20180055836-A1 PROCESS FOR THE PREPARATION OF BENZHYDROCODONE HYDROCHLORIDE DBH, DHPS, PAH OPRM1 74/4885OPRD1 27/4885OPRK1 34/4885
US-10406153-B2 Process for the preparation of benzhydrocodone hydrochloride DBH, DHPS, PAH OPRM1 74/4885OPRD1 27/4885OPRK1 34/4885
US-20060167258-A1 Production of opioid analgesics OPRK1, OPRD1, OPRM1 OPRM1 3/4885OPRD1 2/4885OPRK1 1/4885

“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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