Sugi Predict

Sugi Predict / Compounds / SCHEMBL508629

SCHEMBL508629

SCHEMBL508629

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(NCC4CCCCC4)nc3)c2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ KDM1A O60341 3/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GPR119 Q8TDV5 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CRHR1 P34998 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL507634 0.90 CCNT1 (0.41) CCNT1KDM1APRMT5SMN1; SMN2GPR119
SCHEMBL507361 0.83 ESR2 (0.41) KDM1ASMN1; SMN2GPR119GAATHRB
SCHEMBL507098 0.83 GPR119 (0.40) SMN1; SMN2GPR119GAATHRB
Hydrochloric Acid SCHEMBL508304 0.82 GPR119 (0.39) SMN1; SMN2GPR119GAATHRB
SCHEMBL10230402 0.78 CCNT1 (0.36) CCNT1CDK9PRMT5KDM4ETSHR
SCHEMBL507558 0.78 KDM1A (0.47) KDM1ASMN1; SMN2GPR119GAATHRB
SCHEMBL506835 0.78 ESR2 (0.43) KDM1ASMN1; SMN2GPR119GAATHRB
SCHEMBL507120 0.78 DDB1 (0.41) SMN1; SMN2GPR119GAATHRBMAPT
Succinic Acid SCHEMBL508666 0.78 TPH1 (0.36) CCNT1KMT2AKDM4ETSHRHSD17B10
SCHEMBL507325 0.77 KDM1A (0.39) KDM1ASMN1; SMN2GPR119MAPT

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 2560/4885CDK9 2900/4885KDM1A 1832/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CCNT1 2786/4885CDK9 2710/4885KDM1A 1338/4885

“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.