Sugi Predict

Sugi Predict / Compounds / SCHEMBL3965551

SCHEMBL3965551

SCHEMBL3965551

O=C(NCC#Cc1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.36
▸ ESR2 Q92731 3/20 0.36
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAL P20701 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ CCR3 P51677 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ WDR5 P61964 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
SCHEMBL3964266 0.89 NAMPT (0.38) ESR1ESR2ITGB2ICAM1ITGAL
SCHEMBL3966652 0.84 ESR1 (0.39) ESR1ESR2DRD2ACKR3NOTUM
SCHEMBL3961297 0.80 HTR2A (0.39) SMN1; SMN2ALDH1A1
SCHEMBL14115682 0.79 NAMPT (0.40) ESR1ESR2DRD2DRD3CCR3
SCHEMBL3968222 0.79 ESR1 (0.36) ESR1ESR2ITGB2ICAM1ITGAL
SCHEMBL3968226 0.79 ESR1 (0.36) ESR1ESR2ITGB2ICAM1ITGAL
SCHEMBL3965534 0.78 ESR1 (0.37) ESR1ESR2DRD2ACKR3
SCHEMBL3968661 0.78 HDAC6 (0.43) EPHX2ALDH1A1
SCHEMBL3970338 0.76 NAMPT (0.38) ESR1ESR2ITGB2ICAM1ITGAL
SCHEMBL3970340 0.76 NAMPT (0.38) ESR1ESR2ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420631-B2 Serotonin receptor antagonist; therapy for obesity, antidepressants, obsessive-compulsive disorders ELI LILLY AND COMPANY (US) 2013-04-16 — — US disclosed
EP-1926712-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2009-07-29 — — EP disclosed
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists ELI LILLY AND COMPANY 2008-08-28 — — US disclosed
EP-1926712-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2008-06-04 — — EP disclosed
WO-2007028131-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 — — WO 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-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists HTR2C, HTR2A, HTR1A ESR1 175/4885ESR2 150/4885ITGB2 1508/4885

“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.