SCHEMBL2579137

SCHEMBL2579137

N#Cc1ccc(CC(=O)N2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
HPGD P15428 1/20 0.61
CNR1 P21554 1/20 0.57
HRH3 Q9Y5N1 1/20 0.51
PANK3 Q9H999 3/20 0.51
KCNJ1 P48048 1/20 0.51
KCNH2 Q12809 1/20 0.51
DPP4 P27487 1/20 0.50
DPP8 Q6V1X1 1/20 0.50
ECE2 P0DPD6 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.49
CTBP2 P56545 1/20 0.47
MLNR O43193 2/20 0.47

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
SCHEMBL7502026 0.87 CNR1 (0.58) SMN1; SMN2NPC1HPGDCNR1PANK3
SCHEMBL17338927 0.86 MAPT (0.62) CNR1PANK3KCNJ1KCNH2L3MBTL1
SCHEMBL18390266 0.86 MAPT (0.62) SMN1; SMN2CNR1PANK3KCNJ1KCNH2
SCHEMBL18390256 0.86 CNR1 (0.57) SMN1; SMN2NPC1HPGDCNR1PANK3
SCHEMBL21169938 0.85 CNR1 (0.46) SMN1; SMN2NPC1HPGDCNR1PANK3
SCHEMBL20962668 0.84 HSD11B1 (0.68) SMN1; SMN2CNR1HRH3PANK3KCNJ1
SCHEMBL4423185 0.84 NPC1 (0.64) NPC1POLB
SCHEMBL20381964 0.82 PANK3 (0.57) SMN1; SMN2CNR1PANK3KCNJ1KCNH2
SCHEMBL18705007 0.82 PANK3 (0.57) SMN1; SMN2CNR1HRH3PANK3KCNJ1
SCHEMBL16000510 0.81 MLNR (0.57) SMN1; SMN2CNR1PANK3ALDH1A1MLNR

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084818-B2 Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use HEPO PHARMACEUTICAL CO., LTD. (CN) 2021-08-10 US disclosed
US-20200062758-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method, Intermediate, Pharmaceutical Composition and use HEPO PHARMACEUTICAL CO., LTD. (CN) 2020-02-27 US disclosed
EP-3539963-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE Livo (Shanghai) Pharmaceutical Co., Ltd (CN) 2019-09-18 EP disclosed
WO-2018086593-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE 礼沃(上海)医药科技有限公司 2018-05-17 WO disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
EP-1924561-B1 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2012-11-14 EP disclosed
EP-1924561-B1 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2012-11-14 EP disclosed
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2011-11-03 US disclosed
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2011-11-03 US disclosed
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2011-11-03 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
EP-1924561-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS Eli Lilly & Company (US) 2008-05-28 EP disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 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 (4 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-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR1A, HTR2A SMN1; SMN2 4163/4885NPC1 1309/4885HPGD 3926/4885
US-11084818-B2 Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use TLR7, TLR9, TLR4 SMN1; SMN2 442/4885NPC1 238/4885HPGD 614/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A SMN1; SMN2 4163/4885NPC1 1309/4885HPGD 3926/4885
US-20200062758-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method, Intermediate, Pharmaceutical Composition and use TLR7, TLR9, NOD1 SMN1; SMN2 765/4885NPC1 359/4885HPGD 1715/4885

“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.