SCHEMBL3476079

SCHEMBL3476079

CCS(=O)(=O)N1CCN(c2ccc3c(c2)CN(C)CCC3Oc2ccccc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
ESR2 Q92731 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 1/20 0.38
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37

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
SCHEMBL3091916 0.87 KMT2A (0.42) SLC6A2SLC6A4SLC6A3MAPTKMT2A
SCHEMBL3086383 0.85 LMNA (0.43) SLC6A2SLC6A4SLC6A3GAAALDH1A1
SCHEMBL3079184 0.83 MMP13 (0.44) SLC6A2SLC6A4SLC6A3MAPTKMT2A
SCHEMBL3477630 0.81 FAAH (0.40) SLC6A2SLC6A4SLC6A3KMT2AHSD17B10
SCHEMBL3085047 0.81 MMP13 (0.40) SLC6A2SLC6A4SLC6A3KMT2AHSD17B10
SCHEMBL3476357 0.79 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3GAAMAPT
SCHEMBL1248706 0.77 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3MAPTKMT2A
SCHEMBL3081733 0.76 HTR2C (0.40) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1
SCHEMBL3083318 0.76 MCHR1 (0.37) SLC6A4GAAMAPTESR2MCHR1
SCHEMBL3074623 0.73 SSTR4 (0.37) SLC6A2SLC6A4SLC6A3MCHR1HTR2C

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 2 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

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 SLC6A2 10/4885SLC6A4 16/4885SLC6A3 13/4885

“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.