Sugi Predict

Sugi Predict / Compounds / SCHEMBL507634

SCHEMBL507634

SCHEMBL507634

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(NC4CCCCC4)nc3)c2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.41
▸ DDB1 Q16531 2/20 0.39
▸ CRBN Q96SW2 2/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ DYRK2 Q92630 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ WNT3A P56704 1/20 0.36

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
SCHEMBL508629 0.90 CCNT1 (0.38) CCNT1DDB1CRBNGPR119MAPT
SCHEMBL507361 0.85 ESR2 (0.41) GPR119ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL507098 0.82 GPR119 (0.40) GPR119SMN1; SMN2GAATHRB
Hydrochloric Acid SCHEMBL508304 0.81 GPR119 (0.39) GPR119SMN1; SMN2GAATHRB
SCHEMBL507558 0.80 KDM1A (0.47) GPR119NPC1MAPTHTTRAB9A
SCHEMBL506835 0.80 ESR2 (0.43) GPR119MAPK1MAPTHTTSMN1; SMN2
SCHEMBL507120 0.79 DDB1 (0.41) DDB1CRBNGPR119MAPTSMN1; SMN2
SCHEMBL507325 0.79 KDM1A (0.39) GPR119MAPTSMN1; SMN2KDM1A
SCHEMBL507530 0.79 ESR2 (0.43) MAPK1MAPTHTTSMN1; SMN2KDM1A
SCHEMBL507934 0.78 ESR2 (0.42) GPR119MAPK1MAPTHTTSMN1; SMN2

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-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
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 — — EP 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-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 CCNT1 2560/4885DDB1 3645/4885CRBN 2242/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CCNT1 2786/4885DDB1 3934/4885CRBN 3705/4885

“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.