SCHEMBL3090886

SCHEMBL3090886

CN1CCC(Oc2ccc(F)cc2)c2ccc(-c3ccc4nncn4c3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.40
MAPK14 Q16539 1/20 0.38
TGFBR1 P36897 1/20 0.35
PIK3CA P42336 1/20 0.35
DRD2 P14416 5/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
HTR1B P28222 1/20 0.33
HTR6 P50406 1/20 0.33
ALDH1A3 P47895 1/20 0.32
MLLT1 Q03111 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
RORC P51449 1/20 0.32
DPP4 P27487 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3092342 0.93 SCN5A (0.38) SCN5AMAPK14TGFBR1PIK3CAMLLT1
SCHEMBL3476689 0.91 SCN5A (0.37) SCN5AMAPK14PIK3CAALDH1A3MLLT1
SCHEMBL3074668 0.82 SCN5A (0.41) SCN5AMAPK14TGFBR1DRD2HTR1B
SCHEMBL3083463 0.79 DRD2 (0.48) MAPK14DRD2HTR1BHTR6MAPT
SCHEMBL3071510 0.78 SLC6A2 (0.50) DRD2L3MBTL1
SCHEMBL3090257 0.78 MAP4K1 (0.42)
SCHEMBL3083522 0.77 KMT2A (0.38) DRD2HTR1BMAPTSMN1; SMN2
SCHEMBL1248088 0.77 SLC6A2 (0.37) SCN5AMAPK14PIK3CA
SCHEMBL3081775 0.76 SLC6A2 (0.50) DRD2MAPTSMN1; SMN2L3MBTL1
SCHEMBL3089358 0.76 SLC9A3 (0.44) L3MBTL1

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 5 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 claimed
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 SCN5A 497/4885MAPK14 3709/4885TGFBR1 893/4885

“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.