SCHEMBL3070126

SCHEMBL3070126

CCC(=O)N[C@@H]1Cc2ccccc2[C@H](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
SCHEMBL3070121 1.00 MTNR1A (1.00) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL54783 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240415788-A1 OCULAR TREATMENTS FOR NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS PHOTOPHARMICS INC (US) 2024-12-19 US disclosed
US-12042471-B2 Ocular treatments for neurological and neuropsychiatric disorders PHOTOPHARMICS, INC. (US) 2024-07-23 US disclosed
US-10555919-B2 Melatonin in autoimmune disease THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2020-02-11 US disclosed
US-20180140561-A1 TREATMENT OR PROPHYLAXIS OF A NEUROLOGICAL OR NEUROPSYCHIATRIC DISORDERS VIA OCULAR ADMINISTRATION PHOVITREAL PTY LTD (AU) 2018-05-24 US disclosed
US-9827210-B2 Treatment or prophylaxis of a neurological or neuropsychiatric disorders via ocular administration PHOVITREAL PTY LTD (AU) 2017-11-28 US disclosed
US-20170333371-A1 MELATONIN IN AUTOIMMUNE DISEASE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-11-23 US disclosed
US-20160145197-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES ABBVIE INC. 2016-05-26 US disclosed
EP-2173344-B1 TREATMENT OR PROPHYLAXIS OR NEUROLOGICAL OR NEUROPSYCHIATRIC DISORDERS VIA OCULAR ADMINISTRATION CLARENCEW PTY LTD (AU) 2016-04-06 EP disclosed
US-9227901-B2 Process for preparing bicyclic amine derivatives ABBVIE INC. (US) 2016-01-05 US disclosed
EP-2870132-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES AbbVie Inc. (US) 2015-05-13 EP disclosed
US-20140012015-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES ABBVIE INC. 2014-01-09 US disclosed
WO-2014008350-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES ABBVIE INC. (US) 2014-01-09 WO disclosed
US-20100189698-A1 TREATMENT OR PROPHYLAXIS OF A NEUROLOGICAL OR NEUROPSYCHIATRIC DISORDERS VIA OCULAR ADMINISTRATION CLARENCEW PTY LTD (AU) 2010-07-29 US disclosed
EP-2173344-A1 TREATMENT OR PROPHYLAXIS OR NEUROLOGICAL OR NEUROPSYCHIATRIC DISORDERS VIA OCULAR ADMINISTRATION Clarencew Pty Ltd. (AU) 2010-04-14 EP disclosed
WO-2009003226-A1 TREATMENT OR PROPHYLAXIS OR NEUROLOGICAL OR NEUROPSYCHIATRIC DISORDERS VIA OCULAR ADMINISTRATION CLARENCEW PTY LTD (AU) 2009-01-08 WO 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 (6 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-20160145197-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES HRH4, HRH3, HRH1 MTNR1A 3378/4885MTNR1B 2162/4885MEN1 188/4885
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
US-20100189698-A1 TREATMENT OR PROPHYLAXIS OF A NEUROLOGICAL OR NEUROPSYCHIATRIC DISORDERS VIA OCULAR ADMINISTRATION SLC6A3, SLC18A2, SLC6A2 MTNR1A 74/4885MTNR1B 84/4885MEN1 1469/4885
US-20180140561-A1 TREATMENT OR PROPHYLAXIS OF A NEUROLOGICAL OR NEUROPSYCHIATRIC DISORDERS VIA OCULAR ADMINISTRATION SLC6A3, SLC18A2, SLC6A2 MTNR1A 74/4885MTNR1B 84/4885MEN1 1469/4885
US-20140012015-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES HRH4, HRH3, HRH1 MTNR1A 3378/4885MTNR1B 2162/4885MEN1 188/4885

“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.