Sugi Predict

Sugi Predict / Compounds / SCHEMBL507567

SCHEMBL507567

SCHEMBL507567

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(C(=O)N(F)Cc4ccc(C(F)(F)F)cc4)cn3)c2CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.36
▸ GPR119 Q8TDV5 7/20 0.35
▸ MAPT P10636 1/20 0.34
▸ CETP P11597 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ TRPV1 Q8NER1 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
SCHEMBL10476152 0.84 HTR2C (0.37) RORC
SCHEMBL507266 0.83 ESR2 (0.39) RORCGPR119MAPTKDM1APOLB
SCHEMBL10228733 0.81 ESR2 (0.38) GPR119MAPTKDM1APOLBHTT
Succinic Acid SCHEMBL507455 0.81 HTR2C (0.35) RORCCETP
SCHEMBL507325 0.81 KDM1A (0.39) GPR119MAPTKDM1APOLBSMN1; SMN2
SCHEMBL507640 0.80 ESR2 (0.39) MAPTKDM1APOLBJAK2JAK3
SCHEMBL507566 0.80 RORC (0.39) RORCGPR119MAPTALDH1A1POLB
SCHEMBL506827 0.79 ESR2 (0.39) MAPTKDM1APOLBESR2
SCHEMBL508246 0.78 KDM1A (0.37) GPR119MAPTKDM1APOLBSMN1; SMN2
Succinic Acid SCHEMBL4247899 0.77 TRPM8 (0.33) RORC

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 RORC 309/4885GPR119 36/4885MAPT 4341/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A RORC 783/4885GPR119 36/4885MAPT 4526/4885

“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.