SCHEMBL5220139

SCHEMBL5220139

Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cc(F)c(F)c2n1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.85
HTR1D P28221 19/20 0.85
HTR1B P28222 18/20 0.85
HTR7 P34969 7/20 0.73
DRD3 P35462 7/20 0.73
ADRB1 P08588 6/20 0.73
DRD2 P14416 6/20 0.73
HTR2A P28223 5/20 0.73
HTR2B P41595 4/20 0.73
SLC6A4 P31645 1/20 0.73
HTR2C P28335 4/20 0.66
HTR6 P50406 1/20 0.64

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
SCHEMBL5216872 0.89 HTR1D (0.71) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL14565044 0.88 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL5251500 0.84 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL5213744 0.84 HTR1A (0.85) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL14564979 0.84 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL5364247 0.84 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL29388787 0.84 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL5216805 0.83 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL29462269 0.81 HTR1D (0.93) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL4428997 0.80 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3

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-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.