SCHEMBL6081920

SCHEMBL6081920

Fc1ccc2[nH]cc(C3=CCN(C[C@@H]4CCc5ccc6ncccc6c5O4)CC3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.58
SLC6A4 P31645 5/20 0.49
DRD2 P14416 6/20 0.46
HTR2A P28223 3/20 0.46
HTR7 P34969 3/20 0.46
HTR6 P50406 3/20 0.46
DRD4 P21917 1/20 0.46
HTR2C P28335 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL6081283 1.00 HTR1A (0.58) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL6081549 1.00 HTR1A (0.58) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL6628211 0.87 HTR1A (0.65) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL7129070 0.82 HTR1A (0.76) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL7125110 0.82 HTR1A (0.76) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL7120812 0.81 HTR1A (0.59) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL6629048 0.81 HTR1A (0.59) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL5766463 0.79 HTR1A (0.59) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL6105713 0.78 HTR1A (0.57) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL6628980 0.77 HTR1A (0.66) HTR1ASLC6A4DRD2HTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903110-B2 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2005-06-07 US claimed
US-20030078268-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2003-04-24 US claimed
WO-2003010169-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7, 8-DIHYDRO-6H-5-OXA-1-AZA-PHENANTHRENE WYETH (US) 2003-02-06 WO claimed
US-7030245-B2 Antidepressant azahetorocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenathrene WYETH (US) 2006-04-18 US disclosed
US-20050228010-A1 Antidepressant azahetorocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2005-10-13 US disclosed
US-6930109-B2 Antidepressant azaheterocyclyl methyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2005-08-16 US disclosed
US-6903110-B2 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2005-06-07 US disclosed
US-20040235851-A1 Antidepressant azaheterocyclyl methyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH 2004-11-25 US disclosed
US-20030078268-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2003-04-24 US disclosed
WO-2003010169-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7, 8-DIHYDRO-6H-5-OXA-1-AZA-PHENANTHRENE WYETH (US) 2003-02-06 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 (3 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-20030078268-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene TPH1, CYP19A1, HSD3B1 HTR1A 13/4885SLC6A4 208/4885DRD2 66/4885
US-20040235851-A1 Antidepressant azaheterocyclyl methyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene TPH1, CYP19A1, HSD3B1 HTR1A 13/4885SLC6A4 216/4885DRD2 66/4885
US-20050228010-A1 Antidepressant azahetorocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene HTR5A, TPH1, CYP19A1 HTR1A 18/4885SLC6A4 193/4885DRD2 60/4885

“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.