SCHEMBL2299401

SCHEMBL2299401

CCC(=O)NCCC1CCc2ccc3ncoc3c21

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.80
MTNR1B P49286 20/20 0.80
ABCB11 O95342 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
USP2 O75604 1/20 0.58

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
SCHEMBL2296949 0.89 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL4691229 0.83 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL2294740 0.82 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL2295114 0.82 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL29426443 0.82 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL2294737 0.82 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6810066 0.78 MTNR1A (0.79) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL6810063 0.78 MTNR1A (0.79) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL3069652 0.76 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL3065294 0.76 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2

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 53 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-20110196003-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-11 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
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 2/4885ABCB11 405/4885
US-20110196003-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 MTNR1A 1/4885MTNR1B 2/4885ABCB11 405/4885
US-20220096444-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR DELIRIUM MTNR1A, MTNR1B, PNMT MTNR1A 1/4885MTNR1B 2/4885ABCB11 2515/4885
US-20090182023-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 MTNR1A 1/4885MTNR1B 2/4885ABCB11 405/4885
US-11173147-B2 Prophylactic or therapeutic agent for delirium MTNR1A, MTNR1B, PNMT MTNR1A 1/4885MTNR1B 2/4885ABCB11 2515/4885
US-20210130305-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR AUTISM SPECTRUM DISORDER MTNR1A, MTNR1B, MCHR1 MTNR1A 1/4885MTNR1B 2/4885ABCB11 4337/4885
US-10759768-B2 Prophylactic or therapeutic agent for autism spectrum disorder MTNR1A, MTNR1B, MCHR1 MTNR1A 1/4885MTNR1B 2/4885ABCB11 4337/4885

“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.