Sugi Predict

Sugi Predict / Compounds / SCHEMBL3963666

SCHEMBL3963666

SCHEMBL3963666

FC(F)(F)CNCc1cccc(-c2c(Cl)ccc3c2CCNCC3)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 7/20 0.39
▸ HTR2C P28335 6/20 0.39
▸ HTR2A P28223 4/20 0.39
▸ CHRM3 P20309 6/20 0.34
▸ SLC5A1 P13866 1/20 0.34
▸ PNMT P11086 3/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ ASIC3 Q9UHC3 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
SCHEMBL3966296 0.79 MEN1 (0.41) CHRM3SLC5A1
SCHEMBL12175440 0.76 HTR2C (0.43) HTR2BHTR2CHTR2APNMTADRA2A
SCHEMBL10277817 0.75 HTR2C (0.50) HTR2BHTR2CHTR2APNMTADRA2A
SCHEMBL13768673 0.74 HTR2C (0.51) HTR2BHTR2CHTR2APNMTADRA2A
SCHEMBL507201 0.71 HTR2B (0.43) HTR2BHTR2CHTR2ACHRM3PNMT
SCHEMBL30099113 0.69 HTR2C (0.51) HTR2BHTR2CHTR2APNMTADRA2A
SCHEMBL255455 0.69 HTR2C (0.51) HTR2BHTR2CHTR2APNMTADRA2A
Succinic Acid SCHEMBL3968971 0.69 HTR2A (0.43) HTR2BHTR2CHTR2APNMTADRA2A
Hydrochloric Acid SCHEMBL10476285 0.69 HTR2C (0.46) HTR2BHTR2CHTR2AASIC3
SCHEMBL14091667 0.68 HTR2A (0.50) HTR2BHTR2CHTR2APNMTADRA2A

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 8 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
US-8420631-B2 Serotonin receptor antagonist; therapy for obesity, antidepressants, obsessive-compulsive disorders ELI LILLY AND COMPANY (US) 2013-04-16 — — US disclosed
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
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
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
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 HTR2B 7/4885HTR2C 1/4885HTR2A 2/4885

“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.