SCHEMBL55491

SCHEMBL55491

COc1cccc2c1CC(NC(=O)CCl)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 1.00
MTNR1B P49286 9/20 1.00
CYP1A2 P05177 1/20 0.80
MAPT P10636 1/20 0.80
CYP2C9 P11712 1/20 0.80
ALOX15 P16050 1/20 0.80
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
ACHE P22303 2/20 0.58
DRD4 P21917 2/20 0.53
DRD2 P14416 1/20 0.53

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
SCHEMBL55299 0.89 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL55609 0.86 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL3919777 0.84 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9733990 0.82 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL81120 0.82 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9731258 0.81 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL6518723 0.81 MTNR1A (0.82) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL6518717 0.81 MTNR1A (0.82) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8074255 0.80 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL4217159 0.80 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197904-A1 A PROCESS FOR THE SYNTHESIS OF ( R)-2-(( TERT-BUTOXYCARBONYL)AMINO)-3-(DIETHOXYPHOSPHORYL)PROPANOIC ACID OR OF PHOSPHONATE DERIVATIVES THEREOF VIATRIS ASIA PACIFIC PTE LTD (SG) 2025-06-19 US claimed
EP-4493565-A1 A PROCESS FOR THE SYNTHESIS OF (R)-2-(( TERT-BUTOXYCARBONYL)AMINO)-3-(DIETHOXYPHOSPHORYL)PROPANOIC ACID OR OF PHOSPHONATE DERIVATIVES THEREOF Viatris Asia Pacific Pte. Ltd. (SG) 2025-01-22 EP claimed
CN-118871446-A Synthesis method of (R) -2- ((tert-butoxycarbonyl) amino) -3- (diethoxyphosphoryl) propionic acid or phosphonate derivative thereof 晖致亚太私人有限公司 2024-10-29 CN claimed
WO-2023174810-A1 A PROCESS FOR THE SYNTHESIS OF ( R)-2-(( TERT-BUTOXYCARBONYL)AMINO)-3-(DIETHOXYPHOSPHORYL)PROPANOIC ACID OR OF PHOSPHONATE DERIVATIVES THEREOF IDORSIA PHARMACEUTICALS LTD (CH) 2023-09-21 WO claimed
US-5071875-A Nervous system, psychological disorders; sleep cycle, skin dis coloration NORTHWESTERN UNIVERSITY (US) 1991-12-10 US claimed
EP-0420064-A2 Substituted 2-amidotetralins as melatonin agonists and antagonists NORTHWESTERN UNIVERSITY (US) 1991-04-03 EP claimed
EP-4706758-A2 METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2026-03-11 EP disclosed
US-20250197904-A1 A PROCESS FOR THE SYNTHESIS OF ( R)-2-(( TERT-BUTOXYCARBONYL)AMINO)-3-(DIETHOXYPHOSPHORYL)PROPANOIC ACID OR OF PHOSPHONATE DERIVATIVES THEREOF VIATRIS ASIA PACIFIC PTE LTD (SG) 2025-06-19 US disclosed
CN-119836469-A Production of viral protein antigens using fungal constructs 辉宝动物保健公司 2025-04-15 CN disclosed
EP-4525990-A1 USING FUNGAL CONSTRUCTS TO PRODUCE VIRAL PROTEIN ANTIGENS Phibro Animal Health Corporation (US) 2025-03-26 EP disclosed
EP-4502609-A2 DETERMINING A CIRCADIAN RHYTHM Vanda Pharmaceuticals Inc. (US) 2025-02-05 EP disclosed
EP-4493565-A1 A PROCESS FOR THE SYNTHESIS OF (R)-2-(( TERT-BUTOXYCARBONYL)AMINO)-3-(DIETHOXYPHOSPHORYL)PROPANOIC ACID OR OF PHOSPHONATE DERIVATIVES THEREOF Viatris Asia Pacific Pte. Ltd. (SG) 2025-01-22 EP disclosed
US-12201604-B2 Treatment of circadian rhythm disorders VANDA PHARMACEUTICALS INC. (US) 2025-01-21 US disclosed
EP-1696959-A2 MELATONIN COMBINATION THERAPY FOR IMPROVING SLEEP QUALITY Sepracor, Inc. (US) 2006-09-06 EP disclosed
US-20050164987-A1 Melatonin combination therapy for improving sleep quality SEPRACOR INC. 2005-07-28 US disclosed
WO-2005063297-A2 MELATONIN COMBINATION THERAPY FOR IMPROVING SLEEP QUALITY SEPRACOR INC. (US) 2005-07-14 WO disclosed
WO-2005063297-A2 MELATONIN COMBINATION THERAPY FOR IMPROVING SLEEP QUALITY SEPRACOR INC. (US) 2005-07-14 WO disclosed
US-5151446-A Neurological disorders or cardiovascular disorders NORTHWESTERN UNIVERSITY (US) 1992-09-29 US disclosed
US-5071875-A Nervous system, psychological disorders; sleep cycle, skin dis coloration NORTHWESTERN UNIVERSITY (US) 1991-12-10 US disclosed
EP-0420064-A2 Substituted 2-amidotetralins as melatonin agonists and antagonists NORTHWESTERN UNIVERSITY (US) 1991-04-03 EP 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 (2 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-12201604-B2 Treatment of circadian rhythm disorders CRY1, PER2, CRY2 MTNR1A 4/4885MTNR1B 5/4885CYP1A2 256/4885
US-20050164987-A1 Melatonin combination therapy for improving sleep quality MTNR1A, MTNR1B, CRY1 MTNR1A 1/4885MTNR1B 2/4885CYP1A2 45/4885

“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.