SCHEMBL3075982

SCHEMBL3075982

CN1CCC(Oc2ccccc2)c2ccc(-c3ccc(C(N)=O)cc3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
CHEK2 O96017 2/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PARP14 Q460N5 4/20 0.41
PARP10 Q53GL7 4/20 0.41
MAP4K4 O95819 1/20 0.41
OPRK1 P41145 2/20 0.39
GFRA3 O60609 1/20 0.39
RET P07949 1/20 0.39
MCHR1 Q99705 1/20 0.39
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38

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
SCHEMBL3070174 0.83 PRMT5 (0.45) SCN1ASCN2ASCN3APRMT5WDR77
SCHEMBL3083180 0.81 GFRA3 (0.39) SCN1ASCN2ASCN3AGFRA3RET
SCHEMBL3076487 0.79 ROCK2 (0.53) GFRA3RET
SCHEMBL3079207 0.77 SLC6A2 (0.56) GFRA3RET
SCHEMBL3081298 0.77 ROCK2 (0.40) SCN1ASCN2ASCN3A
SCHEMBL3088673 0.77 SLC6A4 (0.56)
SCHEMBL3077823 0.76 SLC6A2 (0.55) GFRA3RET
SCHEMBL3082949 0.76 SLC6A2 (0.45) GFRA3RET
SCHEMBL3084325 0.76 SLC6A2 (0.43) PRMT5WDR77RET
SCHEMBL3477802 0.76 TGFBR1 (0.40) GFRA3RET

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-8987252-B2 Aryloxy- and heteroaryloxy-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-24 US claimed
US-8987252-B2 Aryloxy- and heteroaryloxy-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-24 US disclosed
US-20100210624-A1 ARYLOXY- AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-19 US disclosed
EP-2146720-A1 ARYLOXY-AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2010-01-27 EP disclosed
WO-2008141082-A1 ARYLOXY-AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES 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-20100210624-A1 ARYLOXY- AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, HTR2B, ADRA1B SCN1A 742/4885SCN2A 610/4885SCN3A 696/4885

“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.