SCHEMBL10274772

SCHEMBL10274772

O=C(NCC(F)(F)F)c1ccc(CNc2c(Cl)ccc3c2CCNCC3)cc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 8/20 0.41
PTGES O14684 4/20 0.37
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
OPRD1 P41143 1/20 0.34
PPARG P37231 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MT-CO2 P00403 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
Succinic Acid SCHEMBL507794 0.96 WDR5 (0.38) WDR5PTGESHTR2AHTR2CHTR2B
SCHEMBL10230576 0.89 WDR5 (0.42) WDR5HTR2AHTR2CHTR2BEPHX2
SCHEMBL507864 0.87 WDR5 (0.41) WDR5HTR2AHTR2CHTR2BEPHX2
SCHEMBL10277941 0.86 SMN1; SMN2 (0.38) WDR5HTR2AHTR2CHTR2BEPHX2
SCHEMBL507020 0.86 WDR5 (0.36) WDR5PTGESHTR2AHTR2CHTR2B
SCHEMBL507021 0.86 WDR5 (0.36) WDR5PTGESHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL16456576 0.85 POLB (0.38) WDR5HTR2AHTR2CHTR2BEPHX2
Succinic Acid SCHEMBL508091 0.85 WDR5 (0.39) WDR5HTR2AHTR2CHTR2BEPHX2
SCHEMBL507606 0.84 WDR5 (0.37) WDR5HTR2AHTR2CHTR2BEPHX2
SCHEMBL508082 0.84 NPC1 (0.48) WDR5PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
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-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
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 WDR5 443/4885PTGES 3058/4885HTR2A 4/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A WDR5 815/4885PTGES 1744/4885HTR2A 4/4885

“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.