Sugi Predict

Sugi Predict / Compounds / SCHEMBL3240198

SCHEMBL3240198

SCHEMBL3240198

CN1CCN(c2ccc(Cl)c(Cl)c2)c2ccc(N3CCn4c(nnc4C(F)(F)F)C3)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.39
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ HSD11B1 P28845 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALOX12 P18054 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ BCL2 P10415 1/20 0.34
▸ BID P55957 1/20 0.34
▸ RAD51 Q06609 1/20 0.34
▸ BCL2L1 Q07817 1/20 0.34
▸ BCL2A1 Q16548 1/20 0.34
▸ BCL2L2 Q92843 1/20 0.34
▸ CYP8B1 Q9UNU6 2/20 0.34
▸ HRH4 Q9H3N8 2/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL3237513 0.91 SCN9A (0.40) DPP4SCN9ACYP8B1DPP8DPP9
SCHEMBL3225628 0.89 SCN9A (0.42) DPP4SCN9AMAPTALDH1A1CYP8B1
SCHEMBL3231981 0.88 DPP4 (0.38) DPP4SCN9AMAPTALDH1A1CYP8B1
SCHEMBL3232100 0.88 SCN9A (0.40) DPP4SCN9AHSD11B1MAPTALDH1A1
SCHEMBL3231360 0.87 SCN9A (0.38) DPP4SCN9AHSD11B1MAPTALDH1A1
SCHEMBL3220899 0.86 MAOB (0.40) DPP4SCN9AHSD11B1ALDH1A1CYP8B1
SCHEMBL3228425 0.86 HTR3A (0.45) SCN9AHRH4SMN1; SMN2DRD2HTR2A
SCHEMBL3229007 0.83 SCN9A (0.37) DPP4SCN9AMAPTALDH1A1CYP8B1
SCHEMBL3480071 0.81 MAPT (0.50) SLC6A2SLC6A4MAPTLMNAALOX12
SCHEMBL3230352 0.73 MAPT (0.45) SLC6A2SLC6A4MAPTLMNAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096546-B2 Aryl- and heteroaryl-substituted tetrahydrobenzo-1,4-diazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-08-04 — — US disclosed
US-20100137287-A1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2010-06-03 — — US disclosed
EP-2146722-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2010-01-27 — — EP disclosed
WO-2008141081-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2008-11-20 — — 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-20100137287-A1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA1B, ADRB1, ADRA1D DPP4 1454/4885SLC6A2 28/4885SLC6A4 40/4885

“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.