SCHEMBL2585052

SCHEMBL2585052

CNc1nc(-c2ccc(CN)cc2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
MAPT P10636 6/20 0.56
AR P10275 1/20 0.55
LTA4H P09960 5/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
ALOX15 P16050 2/20 0.48
ALOX12 P18054 2/20 0.48
HSD17B10 Q99714 2/20 0.48
NPSR1 Q6W5P4 2/20 0.46
AOC3 Q16853 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GFER P55789 1/20 0.45
WNT3A P56704 1/20 0.45
PTGS2 P35354 1/20 0.43
PKM P14618 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL13685290 0.84 KMT2A (0.68) NPC1RAB9AMAPTLTA4HKMT2A
SCHEMBL11499092 0.84 NPC1 (0.64) NPC1RAB9AMAPTARLTA4H
SCHEMBL12160248 0.83 TYR (0.48) NPC1RAB9AMAPTLTA4HKMT2A
SCHEMBL13685439 0.82 RAB9A (0.57) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL13685464 0.82 RAB9A (0.50) NPC1RAB9AMAPTLTA4HKMT2A
SCHEMBL11151890 0.81 NPC1 (0.70) NPC1RAB9AMAPTARLTA4H
SCHEMBL2582346 0.81 KMT2A (0.49) NPC1RAB9AMAPTLTA4HKMT2A
Bromide SCHEMBL9518830 0.80 NPC1 (0.63) NPC1RAB9AMAPTARLTA4H
SCHEMBL13513637 0.80 RAB9A (0.72) NPC1RAB9AMAPTARLTA4H
SCHEMBL27768308 0.79 AOC3 (0.50) NPC1RAB9AMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101258131-B As 5-HT2c6-aralkylamino-2 receptor agonists LILLY CO ELI 2013-07-24 CN 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-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
CN-101258131-A As 5-HT2c6-aralkylamino-2, 3,4, 5-tetrahydro-1H-benzo [ d ] receptors as agonists]Aza * LILLY CO ELI (US) 2008-09-03 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 NPC1 1309/4885RAB9A 2004/4885MAPT 4626/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A NPC1 1309/4885RAB9A 2004/4885MAPT 4626/4885

“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.