SCHEMBL3076003

SCHEMBL3076003

CN1CCC(Oc2ccc(OC(F)(F)F)cc2)c2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.46
CCR6 P51684 6/20 0.43
KCNH2 Q12809 4/20 0.43
HTR6 P50406 1/20 0.43
ALDH1A1 P00352 1/20 0.42
P2RY1 P47900 1/20 0.41
PPIB P23284 1/20 0.39
PPIA P62937 1/20 0.39
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 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
SCHEMBL3074628 0.88 SLC6A4 (0.45) HTR2AKCNH2HTR6ALDH1A1FPR2
SCHEMBL3075104 0.78 SLC6A2 (0.48) HTR2AKCNH2P2RY1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2875589 0.77 HTR2A (0.44) HTR2ACCR6KCNH2HTR6ALDH1A1
SCHEMBL2056114 0.75 HRH3 (0.58) HTR2ACCR6KCNH2ALDH1A1FPR2
SCHEMBL10957782 0.74 SLC6A4 (0.46) CCR6KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL3088673 0.73 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL14438091 0.72 HTR2A (0.53) HTR2ACCR6KCNH2HTR6ALDH1A1
Oxalic Acid SCHEMBL10956963 0.71 KDM4E (0.44) CCR6KCNH2ALDH1A1SLC6A2SLC6A4
SCHEMBL10955332 0.71 SLC6A2 (0.55) HTR2AKCNH2SLC6A2SLC6A4SMN1; SMN2
SCHEMBL8917514 0.71 PDE3B (0.52) HTR2ACCR6KCNH2ALDH1A1FPR2

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 HTR2A 28/4885CCR6 3547/4885KCNH2 399/4885

“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.