Sugi Predict

Sugi Predict / Compounds / SCHEMBL3234584

SCHEMBL3234584

SCHEMBL3234584

CN1CCN(c2cc(F)cc(F)c2)c2ccc(-n3ccccc3=O)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.41
▸ SCN9A Q15858 1/20 0.38
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ F10 P00742 4/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 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
SCHEMBL3479641 0.88 HRH4 (0.44) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3479624 0.88 HRH4 (0.41) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3479718 0.85 HRH4 (0.40) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3235499 0.85 SLC6A2 (0.49) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3228568 0.84 HTR3A (0.46) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3479673 0.83 SLC6A2 (0.47) HRH4SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL3217923 0.83 HRH4 (0.42) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3479707 0.82 HRH4 (0.39) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3217809 0.82 HRH4 (0.40) HRH4SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL3479568 0.82 HRH4 (0.40) HRH4SCN9ASLC6A2SLC6A4SLC6A3

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 HRH4 90/4885SCN9A 795/4885SLC6A2 28/4885

“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.