SCHEMBL54783

SCHEMBL54783

CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 1.00
MTNR1B P49286 6/20 1.00
MEN1 O00255 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
ALOX15 P16050 1/20 1.00
TSHR P16473 1/20 1.00
MAPK1 P28482 1/20 1.00
CYP2C19 P33261 1/20 1.00
KMT2A Q03164 1/20 1.00
SIGMAR1 Q99720 11/20 0.62
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48

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
SCHEMBL29759505 1.00 MTNR1A (1.00) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL3070126 1.00 MTNR1A (1.00) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL3070121 1.00 MTNR1A (1.00) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL54831 0.87 CYP2C19 (0.77) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL53985 0.85 CYP2C19 (0.74) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL13038589 0.84 MTNR1A (0.72) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL9731350 0.80 MTNR1A (0.66) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL55965 0.80 MTNR1A (0.66) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL6359193 0.78 MTNR1A (0.79) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL23780653 0.77 SIGMAR1 (1.00) MTNR1AMTNR1BMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088057-A1 METHODS OF TREATING PRE-TERM LABOR The Florida State University Research Foundation, Inc. (US) 2014-03-27 US claimed
US-8129432-B2 Method of correcting imbalance between bone resorption and bone formation and kits and compositions therefor CHU SAINTE-JUSTINE (CA) 2012-03-06 US claimed
US-20100029567-A1 METHOD OF CORRECTING IMBALANCE BETWEEN BONE RESORPTION AND BONE FORMATION AND KITS AND COMPOSITIONS THEREFOR CHU SAINTE-JUSTINE (CA) 2010-02-04 US claimed
EP-2120912-A1 METHODS OF CORRECTING IMBALANCE BETWEEN BONE RESORPTION AND BONE FORMATION AND KITS AND COMPOSITIONS THEREFOR Chu Sainte-justine (CA) 2009-11-25 EP claimed
WO-2008098379-A1 METHODS OF CORRECTING IMBALANCE BETWEEN BONE RESORPTION AND BONE FORMATION AND KITS AND COMPOSITIONS THEREFOR CHU SAINTE-JUSTINE (CA) 2008-08-21 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
US-20250255928-A1 USE OF COLLAGEN HYDROLYSATE AS AN ACTIVE INGREDIENT IN AMELIORATING SLEEP ROUSSELOT B.V. (BE) 2025-08-14 US disclosed
EP-4463177-B1 USE OF COLLAGEN HYDROLYSATE AS AN ACTIVE INGREDIENT IN AMELIORATING SLEEP ROUSSELOT BV (BE) 2025-05-14 EP disclosed
US-20240415788-A1 OCULAR TREATMENTS FOR NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS PHOTOPHARMICS INC (US) 2024-12-19 US disclosed
EP-4463177-A1 USE OF COLLAGEN HYDROLYSATE AS AN ACTIVE INGREDIENT IN AMELIORATING SLEEP Rousselot BV (BE) 2024-11-20 EP disclosed
WO-2024165665-A1 USE OF COLLAGEN HYDROLYSATE AS AN ACTIVE INGREDIENT IN AMELIORATING SLEEP ROUSSELOT BV (BE) 2024-08-15 WO disclosed
US-12042471-B2 Ocular treatments for neurological and neuropsychiatric disorders PHOTOPHARMICS, INC. (US) 2024-07-23 US disclosed
WO-2009073184-A1 COMPOSITIONS FOR INDUCING LABOR AND ASSOCIATED METHODS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-06-11 WO disclosed
WO-2009003226-A1 TREATMENT OR PROPHYLAXIS OR NEUROLOGICAL OR NEUROPSYCHIATRIC DISORDERS VIA OCULAR ADMINISTRATION CLARENCEW PTY LTD (AU) 2009-01-08 WO disclosed
WO-2008098379-A1 METHODS OF CORRECTING IMBALANCE BETWEEN BONE RESORPTION AND BONE FORMATION AND KITS AND COMPOSITIONS THEREFOR CHU SAINTE-JUSTINE (CA) 2008-08-21 WO disclosed
WO-2008098379-A1 METHODS OF CORRECTING IMBALANCE BETWEEN BONE RESORPTION AND BONE FORMATION AND KITS AND COMPOSITIONS THEREFOR CHU SAINTE-JUSTINE (CA) 2008-08-21 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-12042471-B2 Ocular treatments for neurological and neuropsychiatric disorders SLC18A2, SLC6A3, SLC18A3 MTNR1A 56/4885MTNR1B 53/4885MEN1 2498/4885
US-20240415788-A1 OCULAR TREATMENTS FOR NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC18A2, SLC6A3, SLC18A3 MTNR1A 56/4885MTNR1B 53/4885MEN1 2498/4885

“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.