SCHEMBL5214738

SCHEMBL5214738

CCN1C(=O)COc2ccc(CC3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 1.00
HTR1D P28221 20/20 1.00
HTR1B P28222 20/20 1.00
CYP2C9 P11712 5/20 0.81
CYP1A2 P05177 4/20 0.81
SLC6A4 P31645 3/20 0.71
DRD2 P14416 2/20 0.71
HTR2A P28223 2/20 0.71
HTR7 P34969 2/20 0.71
HTR2B P41595 2/20 0.71
ADRB1 P08588 1/20 0.71
DRD3 P35462 1/20 0.71
CYP2C19 P33261 3/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2D6 P10635 2/20 0.70
ADRB2 P07550 1/20 0.61
HTR1E P28566 1/20 0.61
HTR1F P30939 1/20 0.61
ADRA1B P35368 1/20 0.61
HTR5A P47898 1/20 0.61

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
SCHEMBL14565038 0.92 HTR1A (1.00) HTR1AHTR1DHTR1BCYP2C9CYP1A2
SCHEMBL5364221 0.84 HTR1A (0.72) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL29388787 0.83 HTR1A (1.00) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL5364247 0.83 HTR1A (1.00) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL29462269 0.80 HTR1D (0.93) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL5362693 0.79 HTR1A (0.75) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL5211255 0.78 HTR1A (0.86) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL5342124 0.78 HTR1A (0.74) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL5206738 0.77 HTR1A (0.80) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL6398686 0.77 HTR1A (1.00) HTR1AHTR1DHTR1BSLC6A4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP claimed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US claimed
US-7244726-B2 Heterocyclic compounds possessing affinity at 5HT1 -type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2007-07-17 US disclosed
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
EP-1476444-B1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2006-04-12 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2005-04-21 US disclosed
EP-1476444-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2004-11-17 EP disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
WO-2003068772-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 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 (2 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 HTR1A 307/4885HTR1D 183/4885HTR1B 238/4885
US-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy HTR3C, HTR1A, HTR2C HTR1A 2/4885HTR1D 4/4885HTR1B 11/4885

“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.