SCHEMBL1247076

SCHEMBL1247076

FC(F)(F)Oc1ccc2c(c1)CNCCC2c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 4/20 0.39
HRH3 Q9Y5N1 1/20 0.37
MGLL Q99685 2/20 0.36
GRIN2B Q13224 2/20 0.35
CHRM5 P08912 1/20 0.35
HTR3A P46098 1/20 0.35
SSTR1 P30872 1/20 0.34
SSTR4 P31391 1/20 0.34
HTR2C P28335 1/20 0.34
HTR6 P50406 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
EPHX1 P07099 1/20 0.33

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
SCHEMBL23873239 0.71 EPHX1 (0.41) SLC6A4GRIN2BHTR2CEPHX1
SCHEMBL1245595 0.71 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3HTR2C
Hydrochloric Acid SCHEMBL11798762 0.70 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HRH3HTR2C
SCHEMBL1246537 0.69 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL1247676 0.68 SLC6A2 (0.64) SLC6A4SLC6A2SLC6A3
SCHEMBL1245774 0.68 SLC6A2 (0.62) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL4884966 0.68 HTR2C (0.43) SLC6A4SLC6A2SLC6A3HTR2CEPHX1
SCHEMBL7979150 0.68 ASIC3 (0.50) HRH3HTR2C
SCHEMBL6979583 0.68 PNMT (0.50) HRH3
SCHEMBL1249149 0.67 HRH3 (0.41) SLC6A4SLC6A2SLC6A3HRH3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904069-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2018-06-13 EP disclosed
US-9403776-B2 Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2016-08-02 US disclosed
US-20140296514-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2014-10-02 US disclosed
US-8791101-B2 Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2014-07-29 US disclosed
US-7956050-B2 Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2011-06-07 US disclosed
US-20110046114-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2011-02-24 US disclosed
US-20090118260-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2009-05-07 US disclosed
US-20080207595-A9 Psychological disorders; analgesics; hyperactivity; eating disorders AMR TECHNOLOGY, INC. (US) 2008-08-28 US disclosed
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse AMR TECHNOLOGY, INC. (US) 2007-01-25 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 (5 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-20080207595-A9 Psychological disorders; analgesics; hyperactivity; eating disorders OPRL1, HTR1B, HTR3C SLC6A4 72/4885SLC6A2 80/4885SLC6A3 46/4885
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse OPRD1, OPRK1, OPRL1 SLC6A4 136/4885SLC6A2 185/4885SLC6A3 98/4885
US-20140296514-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B SLC6A4 27/4885SLC6A2 10/4885SLC6A3 17/4885
US-20110046114-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B SLC6A4 27/4885SLC6A2 10/4885SLC6A3 17/4885
US-20090118260-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B SLC6A4 27/4885SLC6A2 10/4885SLC6A3 17/4885

“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.