SCHEMBL5364247

SCHEMBL5364247

Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 1.00
HTR1D P28221 19/20 1.00
HTR1B P28222 17/20 1.00
ADRB1 P08588 1/20 1.00
DRD2 P14416 1/20 1.00
HTR2A P28223 1/20 1.00
SLC6A4 P31645 1/20 1.00
HTR7 P34969 1/20 1.00
DRD3 P35462 1/20 1.00
HTR2B P41595 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
SCHEMBL29388787 1.00 HTR1A (1.00) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL29462269 0.96 HTR1D (0.93) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL14564986 0.90 HTR1A (0.82) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL14565044 0.90 HTR1A (1.00) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL14564979 0.89 HTR1A (1.00) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL5213744 0.89 HTR1A (0.85) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL5364391 0.89 HTR1D (1.00) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL5216805 0.88 HTR1A (1.00) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL5369349 0.87 HTR1A (0.76) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL5251500 0.86 HTR1A (1.00) HTR1AHTR1DHTR1BADRB1DRD2

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 6 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-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
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 (1 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-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.