SCHEMBL10274740

SCHEMBL10274740

O=C(c1ccccc1)c1ccc(CNc2c(I)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
ACKR3 P25106 1/20 0.38
VNN1 O95497 6/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
GRM1 Q13255 3/20 0.36
NPSR1 Q6W5P4 3/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
MAPK10 P53779 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL506372 0.89 ESR1 (0.39) HPGDHTTACKR3VNN1ESR1
SCHEMBL506379 0.80 ESR1 (0.37) HPGDHTTACKR3ESR1ESR2
SCHEMBL12175400 0.80 ACKR3 (0.38) HPGDHTTACKR3ESR1ESR2
SCHEMBL506869 0.78 GRM1 (0.43) HPGDHTTACKR3ESR1ESR2
SCHEMBL506854 0.77 NPC1 (0.43) HPGDHTTACKR3VNN1ESR1
SCHEMBL507044 0.77 ESR1 (0.41) HPGDHTTACKR3ESR1ESR2
SCHEMBL507562 0.76 ESR1 (0.40) HPGDHTTESR1ESR2NPC1
SCHEMBL506344 0.76 ESR1 (0.44) HPGDHTTACKR3ESR1ESR2
SCHEMBL10277317 0.76 ESR1 (0.41) ACKR3ESR1ESR2
SCHEMBL506258 0.75 ESR2 (0.51) HPGDHTTACKR3ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 HPGD 3805/4885HTT 770/4885ACKR3 588/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HPGD 3744/4885HTT 581/4885ACKR3 372/4885

“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.