SCHEMBL2296949

SCHEMBL2296949

CC(=O)NCCC1CCc2ccc3ncoc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 1.00
MTNR1B P49286 20/20 1.00
NQO2 P16083 1/20 0.55
HTR2C P28335 1/20 0.54

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
SCHEMBL2299401 0.89 MTNR1A (0.80) MTNR1AMTNR1B
SCHEMBL4689360 0.82 MTNR1A (0.80) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL2296995 0.81 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL2299672 0.81 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL29426436 0.81 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL2296992 0.81 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL2298060 0.81 MTNR1A (0.76) MTNR1AMTNR1B
SCHEMBL2297247 0.80 MTNR1A (0.78) MTNR1AMTNR1B
SCHEMBL2296546 0.79 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL2300417 0.79 MTNR1A (1.00) MTNR1AMTNR1BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3400940-B1 COMPOUNDS HAVING MELATONIN RECEPTOR AFFINITY AS PROPHYLACTIC OR THERAPEUTIC AGENT FOR DELIRIUM TAKEDA PHARMACEUTICALS CO (JP) 2024-08-07 EP disclosed
CN-108697689-B Prophylactic or therapeutic agent for autism spectrum disorder 武田药品工业株式会社 2022-04-26 CN disclosed
US-20220096444-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR DELIRIUM TAKEDA PHARMACEUTICALS CO (JP) 2022-03-31 US disclosed
EP-3400939-B1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR AUTISM SPECTRUM DISORDER TAKEDA PHARMACEUTICALS CO (JP) 2022-03-16 EP disclosed
US-11173147-B2 Prophylactic or therapeutic agent for delirium TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-16 US disclosed
US-11173147-B2 Prophylactic or therapeutic agent for delirium TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-16 US disclosed
US-20210130305-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR AUTISM SPECTRUM DISORDER TAKEDA PHARMACEUTICALS CO (JP) 2021-05-06 US disclosed
US-20210130305-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR AUTISM SPECTRUM DISORDER TAKEDA PHARMACEUTICALS CO (JP) 2021-05-06 US disclosed
US-10759768-B2 Prophylactic or therapeutic agent for autism spectrum disorder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-01 US disclosed
US-10759768-B2 Prophylactic or therapeutic agent for autism spectrum disorder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-01 US disclosed
US-20110196003-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-11 US disclosed
US-20110190361-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 US disclosed
US-20110190361-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 US disclosed
US-20110190361-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 US disclosed
US-20090182023-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-16 US disclosed
US-20090182023-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-16 US disclosed
US-20090182023-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-16 US disclosed
EP-2029561-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-03-04 EP disclosed
WO-2007148808-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-27 WO disclosed
WO-2007148808-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-27 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 (7 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-20110190361-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 MTNR1A 1/4885MTNR1B 2/4885NQO2 1121/4885
US-20110196003-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 MTNR1A 1/4885MTNR1B 2/4885NQO2 1121/4885
US-20220096444-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR DELIRIUM MTNR1A, MTNR1B, PNMT MTNR1A 1/4885MTNR1B 2/4885NQO2 812/4885
US-20090182023-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 MTNR1A 1/4885MTNR1B 2/4885NQO2 1121/4885
US-11173147-B2 Prophylactic or therapeutic agent for delirium MTNR1A, MTNR1B, PNMT MTNR1A 1/4885MTNR1B 2/4885NQO2 812/4885
US-20210130305-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR AUTISM SPECTRUM DISORDER MTNR1A, MTNR1B, MCHR1 MTNR1A 1/4885MTNR1B 2/4885NQO2 2386/4885
US-10759768-B2 Prophylactic or therapeutic agent for autism spectrum disorder MTNR1A, MTNR1B, MCHR1 MTNR1A 1/4885MTNR1B 2/4885NQO2 2386/4885

“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.