SCHEMBL5616635

SCHEMBL5616635

CCCC(=O)NCCc1c[nH]c2ccc(OC)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.85
MTNR1B P49286 10/20 0.85
KMT2A Q03164 3/20 0.76
MEN1 O00255 2/20 0.76
ALDH1A1 P00352 2/20 0.76
KDM4E B2RXH2 1/20 0.76
CYP1A1 P04798 1/20 0.76
MPO P05164 1/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
HTR1A P08908 1/20 0.76
CYP2D6 P10635 1/20 0.76
HPGD P15428 1/20 0.76
NQO2 P16083 1/20 0.76
HTR2B P41595 1/20 0.76
RAB9A P51151 1/20 0.76
BLM P54132 1/20 0.76
PMP22 Q01453 1/20 0.76
CYP1B1 Q16678 1/20 0.76
NOTUM Q6P988 1/20 0.76

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
SCHEMBL31036086 0.94 MTNR1A (0.87) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL1129551 0.92 MTNR1A (0.92) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL8571512 0.92 MTNR1A (0.92) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL7505689 0.92 MTNR1A (0.92) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL5612765 0.92 MTNR1A (0.80) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL16137407 0.91 MTNR1A (0.81) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL17949536 0.89 MTNR1A (0.69) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL29524586 0.89 MTNR1A (0.80) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL19051465 0.89 MTNR1A (0.85) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL14907346 0.88 MTNR1A (0.67) MTNR1AMTNR1BKMT2AMEN1ALDH1A1

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 13 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-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2016-07-28 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-2007101863-A1 THERAPEUTIC COMBINATION OF A 5HT2 RECEPTOR ANTAGONIST AND OF A 5HT2 RECEPTOR ACTIVATOR MACEF (FR) 2007-09-13 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
WO-2004085395-A1 MELATONIN DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL DYSFUNCTIONS FAUST PHARMACEUTICALS (FR) 2004-10-07 WO disclosed
EP-1064284-B1 HYPNOTIC BETA-CARBOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINAL PRODUCTS MACEF (FR) 2002-03-27 EP disclosed
US-6048868-A CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS; ANTIDEPRESSANTS CEMAF (FR) 2000-04-11 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 (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-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2, BCL2L1 MTNR1A 748/4885MTNR1B 1115/4885KMT2A 373/4885
US-20050137247-A1 Methods and compositions for treatment of hypertension REN, MTNR1A, MTNR1B MTNR1A 2/4885MTNR1B 3/4885KMT2A 733/4885

“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.