SCHEMBL2585838

SCHEMBL2585838

O=C(N1CCc2ccc(Cl)c(NCc3ccc(-c4ccn(CC5CC5)n4)cc3)c2CC1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.43
DGAT1 O75907 9/20 0.35
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 0.35
MOGAT2 Q3SYC2 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CRHR2 Q13324 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL2581976 0.81 MMP12 (0.34) CRHR1ESR1ESR2CNR1CNR2
SCHEMBL2580356 0.81 TRPV1 (0.43) ESR1ESR2TRPV1
SCHEMBL2580340 0.81 CRHR1 (0.37) CRHR1DGAT1
SCHEMBL506885 0.80 GPR142 (0.43) ESR1ESR2
SCHEMBL506344 0.80 ESR1 (0.44) ESR1ESR2
SCHEMBL506258 0.79 ESR2 (0.51) ESR1ESR2
SCHEMBL507856 0.79 ESR1 (0.38) ESR1ESR2
Cadaverine Tartrate SCHEMBL13685353 0.79 CRHR1 (0.39) CRHR1DGAT1BRD4CREBBP
SCHEMBL12160192 0.78 ESR1 (0.42) ESR1ESR2
SCHEMBL2590568 0.78 ALDH1A1 (0.40) ESR1ESR2

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 CRHR1 69/4885DGAT1 1560/4885BRD4 1315/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A CRHR1 69/4885DGAT1 1560/4885BRD4 1315/4885

“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.