SCHEMBL2585840

SCHEMBL2585840

O=C(C1CNCCc2c1ccc(Cl)c2NCc1ccc(-c2ccn(CC3CC3)n2)cc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.41
MOGAT2 Q3SYC2 1/20 0.33
DGAT1 O75907 3/20 0.33
MGAT2 Q10469 1/20 0.31
IKBKB O14920 2/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL2580340 0.80 CRHR1 (0.37) CRHR1DGAT1IKBKB
Cadaverine Tartrate SCHEMBL13685353 0.79 CRHR1 (0.39) CRHR1DGAT1IKBKB
SCHEMBL2585838 0.78 CRHR1 (0.43) CRHR1MOGAT2DGAT1
SCHEMBL13685707 0.66 CLK4 (0.35) IKBKB
SCHEMBL4775977 0.63 TBK1 (0.38) CRHR1
SCHEMBL13685572 0.63 CLK4 (0.34) IKBKB
SCHEMBL4927106 0.62 ALDH1A1 (0.42)
SCHEMBL2586635 0.62 MTOR (0.42) CRHR1MOGAT2MGAT2
SCHEMBL3793627 0.62 CRHR1 (0.44) CRHR1
Succinic Acid SCHEMBL2584999 0.61 VCP (0.46) DGAT1IKBKB

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 2 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-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

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

For each of this compound's patents that has machine-readable text (1 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 69/4885MOGAT2 904/4885DGAT1 1560/4885

“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.