SCHEMBL2581898

SCHEMBL2581898

CC(C)CCNc1nc(-c2ccc(CNc3c(Cl)ccc4c3CCN(C(=O)C(F)(F)F)CC4)cc2)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 6/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
ALK Q9UM73 3/20 0.35
MRE11 P49959 1/20 0.34
NPC1 O15118 5/20 0.33
POLB P06746 1/20 0.33
SLC12A2 P55011 1/20 0.33
WNK1 Q9H4A3 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 1/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
USP2 O75604 1/20 0.33
ADRB2 P07550 1/20 0.33

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
SCHEMBL2584775 0.89 WNK1 (0.42) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL2586198 0.89 MAPT (0.36) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL2585962 0.85 ABL1 (0.48) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL2585554 0.81 MEN1 (0.37) RAB9AMEN1KMT2AMAPTALDH1A1
Succinic Acid SCHEMBL2581490 0.81 MEN1 (0.39) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL506885 0.79 GPR142 (0.43) MEN1KMT2A
SCHEMBL2584206 0.77 USP2 (0.37) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL2589754 0.77 ESR1 (0.34) DGAT1
SCHEMBL506344 0.77 ESR1 (0.44) KMT2AALDH1A1LMNAPKMSMN1; SMN2
SCHEMBL2588177 0.77 ESR1 (0.38) MAPTLMNAPOLBMAPK1

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 4 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
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-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

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 RAB9A 2004/4885MEN1 4387/4885KMT2A 1221/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A RAB9A 2004/4885MEN1 4387/4885KMT2A 1221/4885

“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.