SCHEMBL4967386

SCHEMBL4967386

CCC(CNC(C)=O)c1c[nH]c2cc(Cl)c(OC)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.76
MTNR1B P49286 14/20 0.76
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
HTR2B P41595 2/20 0.59
MAPK1 P28482 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
CYP2C9 P11712 1/20 0.59
NFKB1 P19838 1/20 0.59
SLC6A4 P31645 1/20 0.59
CYP2C19 P33261 1/20 0.59
THPO P40225 1/20 0.59
KMT2A Q03164 1/20 0.59
HIF1A Q16665 1/20 0.59
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
APEX1 P27695 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7051627 0.87 HTR2B (0.59) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL29424270 0.86 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL678611 0.86 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL1539259 0.86 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL9671595 0.86 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7056004 0.84 MTNR1A (0.80) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7050446 0.82 MTNR1A (0.52) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL8822758 0.82 MTNR1A (0.66) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL17749339 0.82 MTNR1A (0.65) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL9671439 0.80 MTNR1A (0.54) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898906-A2 METHODS OF TREATMENT UTILIZING CERTAIN MELATONIN DERIVATIVES Phase 2 Discovery (US) 2008-03-19 EP claimed
WO-2006105455-A2 METHODS OF TREATMENT UTILIZING CERTAIN MELATONIN DERIVATIVES PHASE 2 DISCOVERY (US) 2006-10-05 WO claimed
US-20060223877-A1 Methods of treatment utilizing certain melatonin derivatives PHASE 2 DISCOVERY, INC. 2006-10-05 US claimed
EP-0656209-B1 Melatonin derivatives for use in treating desynchronization disorders LILLY CO ELI (US) 2003-05-07 EP claimed
EP-0655243-B1 Melatonin derivatives for use in treating sleep disorders LILLY CO ELI (US) 2002-08-21 EP claimed
US-6180657-B1 SLEEP DISORDERS ELI LILLY AND COMPANY 2001-01-30 US claimed
US-5654325-A Melatonin derivatives for use in treating sleep disorders ELI LILLY AND COMPANY (US) 1997-08-05 US claimed
EP-0656209-A2 Melatonin derivatives for use in treating desynchronization disorders ELI LILLY AND COMPANY (US) 1995-06-07 EP claimed
EP-0655243-A2 Melatonin derivatives for use in treating sleep disorders ELI LILLY AND COMPANY (US) 1995-05-31 EP claimed
JP-7196504-A None JP disclosed
EP-1898906-A2 METHODS OF TREATMENT UTILIZING CERTAIN MELATONIN DERIVATIVES Phase 2 Discovery (US) 2008-03-19 EP disclosed
WO-2006105455-A2 METHODS OF TREATMENT UTILIZING CERTAIN MELATONIN DERIVATIVES PHASE 2 DISCOVERY (US) 2006-10-05 WO disclosed
US-20060223877-A1 Methods of treatment utilizing certain melatonin derivatives PHASE 2 DISCOVERY, INC. 2006-10-05 US disclosed
EP-0656209-B1 Melatonin derivatives for use in treating desynchronization disorders LILLY CO ELI (US) 2003-05-07 EP disclosed
EP-0656209-A2 Melatonin derivatives for use in treating desynchronization disorders ELI LILLY AND COMPANY (US) 1995-06-07 EP disclosed
EP-0655243-A2 Melatonin derivatives for use in treating sleep disorders ELI LILLY AND COMPANY (US) 1995-05-31 EP disclosed
EP-0543659-B1 Melatonin derivatives and combinations with antiestrogen compounds for treating mammalian breast carcinoma LILLY CO ELI (US) 1995-05-10 EP disclosed
EP-0543659-A1 Melatonin derivatives and combinations with antiestrogen compounds for treating mammalian breast carcinoma ELI LILLY AND COMPANY (US) 1993-05-26 EP disclosed
US-5196435-A Melatonin derivatives and combinations with antiestrogen compounds for treating mammalian breast carcinoma ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
US-4997845-A β-alkylmelatonins as ovulation inhibitors ELI LILLY AND COMPANY (US) 1991-03-05 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 (1 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-20060223877-A1 Methods of treatment utilizing certain melatonin derivatives MTNR1A, MTNR1B, HTR6 MTNR1A 1/4885MTNR1B 2/4885CYP1A2 1226/4885

“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.