SCHEMBL5213749

SCHEMBL5213749

Cc1ccc2c(OCCC(c3ccc4c(c3)NC(=O)CO4)C3CCNCC3)cc(I)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.49
HTR1A P08908 17/20 0.49
HTR1B P28222 16/20 0.49
ADRB1 P08588 5/20 0.47
DRD2 P14416 5/20 0.47
HTR7 P34969 5/20 0.47
DRD3 P35462 5/20 0.47
HTR2A P28223 4/20 0.47
HTR2B P41595 3/20 0.47
HTR2C P28335 3/20 0.47
SLC6A4 P31645 1/20 0.47
HTR6 P50406 1/20 0.45

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
SCHEMBL6651421 0.85 HTR1A (0.76) HTR1DHTR1AHTR1BADRB1DRD2
SCHEMBL5220146 0.84 HTR1D (0.50) HTR1DHTR1AHTR1BADRB1DRD2
SCHEMBL5251503 0.84 HTR1D (0.59) HTR1DHTR1AHTR1BADRB1DRD2
SCHEMBL4429001 0.81 HTR1D (0.61) HTR1DHTR1AHTR1BADRB1DRD2
SCHEMBL6826132 0.81 HTR1A (0.59) HTR1DHTR1AHTR1BADRB1DRD2
SCHEMBL6832017 0.78 HTR1D (0.62) HTR1DHTR1AHTR1BADRB1DRD2
SCHEMBL6828923 0.76 HTR1A (0.64) HTR1DHTR1AHTR1BADRB1DRD2
SCHEMBL5213744 0.75 HTR1A (0.85) HTR1DHTR1AHTR1BADRB1DRD2
SCHEMBL6833677 0.74 HTR1A (0.61) HTR1DHTR1AHTR1BADRB1DRD2
SCHEMBL5214741 0.73 HTR1D (0.60) HTR1DHTR1AHTR1BADRB1DRD2

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 8 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

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 HTR1D 183/4885HTR1A 307/4885HTR1B 238/4885
US-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy HTR3C, HTR1A, HTR2C HTR1D 4/4885HTR1A 2/4885HTR1B 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.