SCHEMBL3074628

SCHEMBL3074628

CN1CCC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.45
SLC6A2 P23975 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
SLC6A5 Q9Y345 1/20 0.41
LIPE Q05469 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.39
FFAR1 O14842 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTR6 P50406 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
EPHX2 P34913 1/20 0.38
MMP2 P08253 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
SCHEMBL3076003 0.88 HTR2A (0.46) SLC6A4SLC6A2SMN1; SMN2ALDH1A1HTR2A
SCHEMBL10957782 0.87 SLC6A4 (0.46) SLC6A4SLC6A2HRH3SLC6A3KCNH2
Oxalic Acid SCHEMBL10956963 0.83 KDM4E (0.44) SLC6A4SLC6A2SMN1; SMN2KDM4EALDH1A1
Oxalic Acid SCHEMBL11184157 0.82 SLC6A4 (0.40) SLC6A4SLC6A2SMN1; SMN2KDM4EALDH1A1
SCHEMBL9797496 0.80 SLC6A2 (0.45) SLC6A4SLC6A2TRPM8DRD1DRD5
Hydrochloric Acid SCHEMBL9797168 0.79 SLC6A2 (0.44) SLC6A4SLC6A2TRPM8DRD1DRD5
Hydrochloric Acid SCHEMBL2879263 0.79 HTR2A (0.41) HTR2AHTR2CSLC6A5LIPE
SCHEMBL2882304 0.78 HTR2A (0.40) SLC6A4SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL2841183 0.78 HTR2A (0.40) SLC6A4SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL3086500 0.78 SLC6A2 (0.48) SLC6A4SLC6A2FFAR1HRH3SLC6A3

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 16/4885SLC6A2 10/4885SMN1; 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.