SCHEMBL3069862

SCHEMBL3069862

CN1CCC(Oc2ccc(F)cc2)c2ccc(Br)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
CYP2D6 P10635 2/20 0.38
KMT2A Q03164 2/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CYP3A4 P08684 1/20 0.36
TP53 P04637 1/20 0.36
SSTR4 P31391 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CCR1 P32246 1/20 0.36

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
SCHEMBL3081298 0.88 ROCK2 (0.40) SLC6A4SMN1; SMN2ALDH1A1SLC6A2SLC6A3
SCHEMBL3083463 0.80 DRD2 (0.48) SLC6A4MAPTSMN1; SMN2SLC6A2SLC6A3
SCHEMBL3083522 0.80 KMT2A (0.38) SLC6A4MAPTSMN1; SMN2SLC6A2SLC6A3
SCHEMBL3089358 0.78 SLC9A3 (0.44) SLC6A4HTR2C
SCHEMBL3090257 0.78 MAP4K1 (0.42)
SCHEMBL3081696 0.77 MCHR1 (0.40) SLC6A4MAPTSMN1; SMN2SLC6A2SLC6A3
SCHEMBL3081668 0.77 GSK3B (0.41) SLC6A4MAPTSMN1; SMN2SLC6A2SLC6A3
SCHEMBL3081797 0.77 ESR1 (0.35) SLC6A4MAPTSMN1; SMN2SLC6A2SLC6A3
SCHEMBL3081775 0.77 SLC6A2 (0.50) SLC6A4MAPTSMN1; SMN2SLC6A2SLC6A3
SCHEMBL3084823 0.77 SLC6A2 (0.47) SLC6A4MAPTSMN1; SMN2SLC6A2SLC6A3

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 SLC6A4 16/4885MAPT 1919/4885SMN1; SMN2 3638/4885

“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.