SCHEMBL3086594

SCHEMBL3086594

CN1CCC(Oc2cc(F)cc(F)c2)c2ccc(-c3ccc(C#N)cc3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.44
SLC6A4 P31645 2/20 0.40
GPR6 P46095 1/20 0.38
HSD17B3 P37058 1/20 0.37
USP30 Q70CQ3 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH2 P25021 5/20 0.36
HRH1 P35367 5/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SSTR2 P30874 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ERAP1 Q9NZ08 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
SCHEMBL3075363 0.84 HSD17B3 (0.41) SLC6A4HSD17B3USP30SLC6A2SLC6A3
SCHEMBL3095137 0.82 SLC6A4 (0.41) HRH3SLC6A4USP30PRMT5WDR77
SCHEMBL3076880 0.82 DRD2 (0.44) SLC6A4SLC6A2SLC6A3PRMT5WDR77
SCHEMBL3081707 0.80 MAP4K1 (0.42)
SCHEMBL3088500 0.80 KMT2A (0.35) SLC6A4KMT2ASLC6A2SLC6A3
SCHEMBL3076176 0.77 SLC6A2 (0.42) SLC6A4GPR6HSD17B3USP30KMT2A
SCHEMBL3477497 0.77 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3
SCHEMBL3081614 0.77 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3
SCHEMBL3076446 0.77 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3
SCHEMBL3080634 0.77 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3

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 HRH3 212/4885SLC6A4 16/4885GPR6 658/4885

“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.