SCHEMBL8059835

SCHEMBL8059835

C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.56
CYP2D6 P10635 3/20 0.56
DRD4 P21917 3/20 0.56
DRD3 P35462 3/20 0.56
DRD2 P14416 2/20 0.56
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 1/20 0.54
GRIN1 Q05586 6/20 0.50
GRIN2A Q12879 6/20 0.50
GRIN2D O15399 5/20 0.50
GRIN2C Q14957 5/20 0.50
GRIN2B Q13224 4/20 0.50
KCNH2 Q12809 2/20 0.49
CACNA1F O60840 1/20 0.49
ABCB1 P08183 1/20 0.49
CYP2B6 P20813 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49

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
SCHEMBL8061907 1.00 OPRM1 (0.56) OPRM1CYP2D6DRD4DRD3DRD2
SCHEMBL504205 1.00 OPRM1 (0.56) OPRM1CYP2D6DRD4DRD3DRD2
SCHEMBL6560350 0.89 CYP2D6 (0.46) OPRM1CYP2D6DRD4DRD3DRD2
SCHEMBL15154320 0.85 CYP2D6 (0.43) OPRM1CYP2D6DRD4DRD3DRD2
SCHEMBL9397304 0.84 CYP2D6 (0.44) OPRM1CYP2D6DRD4DRD3DRD2
SCHEMBL11600169 0.82 CYP2D6 (0.51) OPRM1CYP2D6DRD4DRD3DRD2
Isoaminile SCHEMBL1642905 0.80 EBP (0.52) OPRM1CYP2D6DRD4DRD3DRD2
Etaminile SCHEMBL2108910 0.79 GRIN1 (0.50) OPRM1CYP2D6DRD4DRD3DRD2
SCHEMBL11728209 0.79 CYP2D6 (0.56) OPRM1CYP2D6DRD4DRD3DRD2
SCHEMBL28302049 0.79 CYP2D6 (0.56) OPRM1CYP2D6DRD4DRD3DRD2

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-20240217919-A1 NOVEL METHODS FOR SYNTHESIZING ENANTIOPURE (S)-METHADONE, (R)-METHADONE, RACEMIC (R,S)-METHADONE AND RELATED ANALOGUE SUBSTANCES MANFREDI PAOLO L (US) 2024-07-04 US disclosed
CN-117897146-A Novel process for synthesizing enantiomerically pure (S) -methadone, (R) -methadone, racemic (R, S) -methadone and related analogues 保罗·L·曼佛雷蒂 2024-04-16 CN disclosed
EP-4319733-A1 NOVEL METHODS FOR SYNTHETIZING ENANTIOPURE (S)-METHADONE, (R)-METHADONE, RACEMIC (R,S)-METHADONE AND RELATED ANALOGUE SUBSTANCES Manfredi, Paolo L. (US) 2024-02-14 EP disclosed
US-11332434-B2 Synthesis of levomethadone hydrochloride SAFAEI GHOMI JAVAD (IR) 2022-05-17 US disclosed
WO-2020212890-A1 SYNTHESIS OF LEVOMETHADONE HYDROCHLORIDE SAFAEI GHOMI JAVAD (IR) 2020-10-22 WO disclosed
US-20200277250-A1 SYNTHESIS OF LEVOMETHADONE HYDROCHLORIDE SAFAEI GHOMI JAVAD (IR) 2020-09-03 US disclosed
US-20190002394-A1 SYNTHESIS OF LEVOMETHADONE HYDROCHLORIDE OR DEXTROMETHADONE HYDROCHLORIDE AND METHODS FOR USE THEREOF CODY LABORATORIES, INC. 2019-01-03 US disclosed
US-10040752-B2 Synthesis of levomethadone hydrochloride or dextromethadone hydrochloride and methods for use thereof CODY LABORATORIES, INC. (US) 2018-08-07 US disclosed
EP-3341354-A1 SYNTHESIS OF LEVOMETHADONE HYDROCHLORIDE OR DEXTROMETHADONE HYDROCHLORIDE AND METHODS FOR USE THEREOF Cody Laboratories, Inc. (US) 2018-07-04 EP disclosed
WO-2017035224-A1 SYNTHESIS OF LEVOMETHADONE HYDROCHLORIDE OR DEXTROMETHADONE HYDROCHLORIDE AND METHODS FOR USE THEREOF CODY LABORATORIES, INC. (US) 2017-03-02 WO disclosed
US-20170057909-A1 SYNTHESIS OF LEVOMETHADONE HYDROCHLORIDE OR DEXTROMETHADONE HYDROCHLORIDE AND METHODS FOR USE THEREOF ALTER DOMUS (US) LLC 2017-03-02 US disclosed
US-6143933-A Process for the preparation of optically active methadones in high enantiomeric purity SALFORD ULTRAFINE CHEMICALS & RESEARCH LTD. (GB) 2000-11-07 US disclosed
EP-0914464-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE METHADONES IN HIGH ENANTIOMERIC PURITY SALFORD ULTRAFINE CHEMICALS AND RESEARCH LIMITED (GB) 1999-05-12 EP disclosed
WO-1997045551-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE METHADONES IN HIGH ENANTIOMERIC PURITY SALFORD ULTRAFINE CHEMICALS & RESEARCH LIMITED (GB) 1997-12-04 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-20240217919-A1 NOVEL METHODS FOR SYNTHESIZING ENANTIOPURE (S)-METHADONE, (R)-METHADONE, RACEMIC (R,S)-METHADONE AND RELATED ANALOGUE SUBSTANCES OPRM1, OPRD1, OPRK1 OPRM1 1/4885CYP2D6 102/4885DRD4 46/4885
US-20170057909-A1 SYNTHESIS OF LEVOMETHADONE HYDROCHLORIDE OR DEXTROMETHADONE HYDROCHLORIDE AND METHODS FOR USE THEREOF CYP2D6, COMT, AADAT OPRM1 35/4885CYP2D6 1/4885DRD4 119/4885
US-20190002394-A1 SYNTHESIS OF LEVOMETHADONE HYDROCHLORIDE OR DEXTROMETHADONE HYDROCHLORIDE AND METHODS FOR USE THEREOF CYP2D6, COMT, AADAT OPRM1 35/4885CYP2D6 1/4885DRD4 119/4885
US-10040752-B2 Synthesis of levomethadone hydrochloride or dextromethadone hydrochloride and methods for use thereof CYP2D6, COMT, AADAT OPRM1 35/4885CYP2D6 1/4885DRD4 119/4885

“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.