SCHEMBL6257501

SCHEMBL6257501

COc1cnc2oc(-c3ccccc3)c(CCNC(C)=O)c2c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.69
MTNR1B P49286 18/20 0.69
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 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
SCHEMBL8128191 0.82 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL6251228 0.79 MTNR1A (0.69) MTNR1AMTNR1B
SCHEMBL8134740 0.76 MTNR1A (0.63) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL8124279 0.74 MTNR1A (0.75) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL8136831 0.71 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL8127354 0.71 MTNR1A (0.80) MTNR1AMTNR1BKDM4EALDH1A1CYP3A4
SCHEMBL8131821 0.70 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL8131312 0.69 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL3508630 0.69 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL8130418 0.69 MTNR1A (0.61) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005063240-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF HYPERTENSION THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-07-14 WO claimed
US-20050137247-A1 Methods and compositions for treatment of hypertension THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-06-23 US claimed
WO-2024155777-A2 COMPOSITIONS AND TECHNIQUES FOR TREATMENT OF POLYCYSTIC OVARIAN SYNDROME (PCOS) AND ENDOMETRIOSIS DARE BIOSCIENCE, INC. (US) 2024-07-25 WO disclosed
US-9468670-B2 Melatonin-based treatment and diagnosis of bile duct disease TEXAS A&M UNIVERSITY SYSTEM (US) 2016-10-18 US disclosed
US-20140079680-A1 MELATONIN-BASED TREATMENT AND DIAGNOSIS OF BILE DUCT DISEASE SCOTT & WHITE HEALTHCARE (US) 2014-03-20 US disclosed
WO-2012135848-A2 MELATONIN-BASED TREATMENT AND DIAGNOSIS OF BILE DUCT DISEASE SCOTT & WHITE HEALTHCARE (US) 2012-10-04 WO disclosed
WO-2005063240-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF HYPERTENSION THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-07-14 WO disclosed
US-20050137247-A1 Methods and compositions for treatment of hypertension THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-06-23 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-20050137247-A1 Methods and compositions for treatment of hypertension REN, MTNR1A, MTNR1B MTNR1A 2/4885MTNR1B 3/4885KDM4E 2127/4885

“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.