SCHEMBL647243

SCHEMBL647243

COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 1.00
HTR1A P08908 3/20 1.00
ADRA2A P08913 1/20 1.00
ADRA2B P18089 1/20 1.00
ADRA2C P18825 1/20 1.00
DRD4 P21917 1/20 1.00

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
SCHEMBL8814950 1.00 SLC6A4 (1.00) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL9325372 0.94 SLC6A4 (0.89) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL9325382 0.94 SLC6A4 (0.89) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL8806272 0.93 SLC6A4 (0.86) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL8814712 0.88 SLC6A4 (0.78) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL8815518 0.88 SLC6A4 (0.78) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL9326522 0.87 SLC6A4 (0.77) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL9326970 0.86 SLC6A4 (0.75) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL8814477 0.86 SLC6A4 (0.75) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL8807661 0.86 SLC6A4 (0.75) SLC6A4HTR1AADRA2AADRA2BADRA2C

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646112-A4 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS. ABBOTT LAB (US) 1997-04-02 EP claimed
EP-0646112-A1 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1995-04-05 EP claimed
WO-1993012754-A2 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1993-07-08 WO claimed
US-20230372309-A1 ALPHA-2 ADRENERGIC RECEPTOR ANTAGONIST KYOTO UNIVERSITY (JP) 2023-11-23 US disclosed
US-20230372309-A1 ALPHA-2 ADRENERGIC RECEPTOR ANTAGONIST KYOTO UNIVERSITY (JP) 2023-11-23 US disclosed
US-9034852-B2 Substituted phenoxy N-alkylated thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2015-05-19 US disclosed
US-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
US-8580832-B2 Substituted phenoxy aminothiazolones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-12 US disclosed
US-8445690-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-05-21 US disclosed
US-8426604-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-04-23 US disclosed
US-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-20070213370-A1 5-HTP Combination Therapy H. LUNDBECK A/S (DK) 2007-09-13 US disclosed
US-20070213370-A1 5-HTP Combination Therapy H. LUNDBECK A/S (DK) 2007-09-13 US disclosed
US-20070117844-A1 5-HTP combination therapy H. LUNDBECK A/S (DK) 2007-05-24 US disclosed
US-20070117844-A1 5-HTP combination therapy H. LUNDBECK A/S (DK) 2007-05-24 US disclosed
US-20070066601-A1 Combination of a serotonin reuptake inhibitor and a histamine 3 receptor antagonist, inverse agonist or partial agonist H. LUNDBECK A/S (DK) 2007-03-22 US disclosed
US-20070066601-A1 Combination of a serotonin reuptake inhibitor and a histamine 3 receptor antagonist, inverse agonist or partial agonist H. LUNDBECK A/S (DK) 2007-03-22 US disclosed
US-20070042014-A1 Combination of a serotonin reuptake inhibitor and loxapine H. LUNDBECK A/S (DK) 2007-02-22 US disclosed
US-20070042014-A1 Combination of a serotonin reuptake inhibitor and loxapine H. LUNDBECK A/S (DK) 2007-02-22 US disclosed
US-5288749-A Treating central nervous system or cardiovascular disorders ABBOTT LABORATORIES (US) 1994-02-22 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-20070117844-A1 5-HTP combination therapy TPH1, HTR1A, HTR4 SLC6A4 17/4885HTR1A 2/4885ADRA2A 98/4885
US-20230372309-A1 ALPHA-2 ADRENERGIC RECEPTOR ANTAGONIST ADRA2A, ADRB2, ADRA2B SLC6A4 1339/4885HTR1A 96/4885ADRA2A 1/4885
US-20070213370-A1 5-HTP Combination Therapy TPH1, HTR1A, HTR4 SLC6A4 17/4885HTR1A 2/4885ADRA2A 98/4885
US-20070066601-A1 Combination of a serotonin reuptake inhibitor and a histamine 3 receptor antagonist, inverse agonist or partial agonist HTR3B, HTR2C, HTR4 SLC6A4 40/4885HTR1A 8/4885ADRA2A 57/4885
US-20070042014-A1 Combination of a serotonin reuptake inhibitor and loxapine HTR2C, HTR3A, HTR3B SLC6A4 9/4885HTR1A 7/4885ADRA2A 158/4885

“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.