SCHEMBL2294579

SCHEMBL2294579

CC(=O)NCC=C1CCc2ccc3nc(C)sc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 1.00
MTNR1B P49286 11/20 1.00
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.37
NQO2 P16083 2/20 0.37
PPARG P37231 3/20 0.36
NR2E3 Q9Y5X4 3/20 0.36
NCOR2 Q9Y618 3/20 0.36
NCOA2 Q15596 2/20 0.36
NCOA1 Q15788 2/20 0.36
NCOA3 Q9Y6Q9 2/20 0.36
HPGD P15428 1/20 0.36
PTK2B Q14289 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2294573 1.00 MTNR1A (1.00) MTNR1AMTNR1BSMN1; SMN2RAB9ANPC1
SCHEMBL20709815 0.82 MTNR1A (0.69) MTNR1AMTNR1BSMN1; SMN2RAB9ANPC1
SCHEMBL2294828 0.79 MTNR1A (0.65) MTNR1AMTNR1BSMN1; SMN2RAB9ANPC1
SCHEMBL2294834 0.79 MTNR1A (0.65) MTNR1AMTNR1BSMN1; SMN2RAB9ANPC1
SCHEMBL2299352 0.77 MTNR1A (1.00) MTNR1AMTNR1BMAPT
SCHEMBL2299350 0.77 MTNR1A (1.00) MTNR1AMTNR1BMAPT
SCHEMBL19114476 0.76 MTNR1A (0.60) MTNR1AMTNR1BSMN1; SMN2RAB9ANPC1
SCHEMBL12214771 0.75 MTNR1A (0.59) MTNR1AMTNR1BSMN1; SMN2RAB9ANPC1
SCHEMBL3573426 0.74 MTNR1A (0.59) MTNR1AMTNR1BNQO2
SCHEMBL3573423 0.74 MTNR1A (0.59) MTNR1AMTNR1BNQO2

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 65 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 claimed
EP-3400939-B1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR AUTISM SPECTRUM DISORDER TAKEDA PHARMACEUTICALS CO (JP) 2022-03-16 EP claimed
US-20210130305-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR AUTISM SPECTRUM DISORDER TAKEDA PHARMACEUTICALS CO (JP) 2021-05-06 US claimed
US-10759768-B2 Prophylactic or therapeutic agent for autism spectrum disorder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-01 US claimed
US-20190040022-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR AUTISM SPECTRUM DISORDER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-07 US claimed
US-20190008834-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR DELIRIUM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-10 US claimed
EP-3400939-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR AUTISM SPECTRUM DISORDER Takeda Pharmaceutical Company Limited (JP) 2018-11-14 EP claimed
EP-3400940-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR DELIRIUM Takeda Pharmaceutical Company Limited (JP) 2018-11-14 EP claimed
EP-2029561-B1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP claimed
US-8552037-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-08 US claimed
US-20130079374-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-28 US claimed
US-20090182023-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-16 US claimed
EP-2029561-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-03-04 EP claimed
WO-2007148808-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-27 WO claimed
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-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-20190008834-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR DELIRIUM MTNR1A, MTNR1B, PNMT MTNR1A 1/4885MTNR1B 2/4885SMN1; SMN2 2157/4885
US-20190040022-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR AUTISM SPECTRUM DISORDER MTNR1A, MTNR1B, MCHR1 MTNR1A 1/4885MTNR1B 2/4885SMN1; SMN2 1496/4885
US-20220096444-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR DELIRIUM MTNR1A, MTNR1B, PNMT MTNR1A 1/4885MTNR1B 2/4885SMN1; SMN2 2157/4885
US-20090182023-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 MTNR1A 1/4885MTNR1B 2/4885SMN1; SMN2 3507/4885
US-20210130305-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR AUTISM SPECTRUM DISORDER MTNR1A, MTNR1B, MCHR1 MTNR1A 1/4885MTNR1B 2/4885SMN1; SMN2 1496/4885
US-10759768-B2 Prophylactic or therapeutic agent for autism spectrum disorder MTNR1A, MTNR1B, MCHR1 MTNR1A 1/4885MTNR1B 2/4885SMN1; SMN2 1496/4885
US-20130079374-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 MTNR1A 1/4885MTNR1B 2/4885SMN1; SMN2 3507/4885

“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.