SCHEMBL5364330

SCHEMBL5364330

Cc1ncc2c(OCCN3CCN(Cc4ccc5c(c4)N(S(C)(=O)=O)CCO5)CC3)cccc2n1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.57
HTR1B P28222 20/20 0.57
HTR1A P08908 18/20 0.57
CYP2C9 P11712 5/20 0.57
CYP1A2 P05177 4/20 0.57
CYP2C19 P33261 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54

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
SCHEMBL5367054 0.90 HTR1D (0.71) HTR1DHTR1BHTR1ACYP2C9CYP1A2
SCHEMBL5369281 0.81 HTR1A (0.53) HTR1DHTR1BHTR1A
SCHEMBL5361811 0.80 HTR1D (0.57) HTR1DHTR1BHTR1ACYP2C9CYP1A2
SCHEMBL5364221 0.79 HTR1A (0.72) HTR1DHTR1BHTR1A
SCHEMBL5364338 0.79 HTR1A (0.54) HTR1DHTR1BHTR1A
SCHEMBL5780220 0.77 HTR1D (0.49) HTR1DHTR1BHTR1ACYP2C9CYP1A2
SCHEMBL5369043 0.72 FAAH (0.50) CYP2D6
SCHEMBL5361819 0.71 PDE3B (0.47) CYP2D6
SCHEMBL5369040 0.71 HTR1A (0.65) HTR1DHTR1BHTR1A
SCHEMBL5214445 0.70 HTR1A (0.81) HTR1DHTR1BHTR1A

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 claimed
EP-1476444-B1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2006-04-12 EP claimed
US-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2005-04-21 US claimed
EP-1476444-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2004-11-17 EP claimed
WO-2003068772-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-08-21 WO 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-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 HTR1D 4/4885HTR1B 11/4885HTR1A 2/4885

“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.