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SCHEMBL3085047

SCHEMBL3085047

CCS(=O)(=O)N1CCN(c2ccc3c(c2)CN(C)CCC3Oc2cc(F)cc(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 3/20 0.40
▸ MMP14 P50281 3/20 0.40
▸ ADAMTS4 O75173 2/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ CYP17A1 P05093 2/20 0.38
▸ CYP21A2 P08686 2/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ NPY5R Q15761 2/20 0.38
▸ FAAH O00519 1/20 0.38
▸ POLB P06746 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TMEM97 Q5BJF2 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ DDB1 Q16531 1/20 0.34

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
SCHEMBL3477630 0.93 FAAH (0.40) MMP13MMP14ADAMTS4SLC6A2SLC6A4
SCHEMBL3079184 0.92 MMP13 (0.44) MMP13MMP14ADAMTS4SLC6A2SLC6A4
SCHEMBL3091916 0.88 KMT2A (0.42) SLC6A2SLC6A4SLC6A3KDM4EKMT2A
SCHEMBL3086383 0.85 LMNA (0.43) SLC6A2SLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL3476079 0.81 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3POLBHSD17B10
SCHEMBL3088223 0.77 MCHR1 (0.36) SLC6A2SLC6A4SLC6A3CYP3A4FAAH
SCHEMBL3095137 0.75 SLC6A4 (0.41) SLC6A4CYP3A4
SCHEMBL1248706 0.75 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3KDM4EKMT2A
SCHEMBL3081649 0.74 HRH3 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4FAAH
SCHEMBL3225754 0.74 SLC6A2 (0.43) MMP13MMP14ADAMTS4SLC6A2SLC6A4

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-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 MMP13 4408/4885MMP14 4592/4885ADAMTS4 4548/4885

“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.