SCHEMBL5369049

SCHEMBL5369049

Cc1ccc2cc(OCCN3CCN(Cc4ccc5c(c4)NCCO5)CC3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 18/20 0.51
HTR1B P28222 16/20 0.51
HTR1A P08908 16/20 0.51
CYP2C9 P11712 5/20 0.43
CYP1A2 P05177 4/20 0.43
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
ADRB1 P08588 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL5371549 0.83 HTR1D (0.74) HTR1DHTR1BHTR1ACYP2C9CYP1A2
SCHEMBL5780220 0.80 HTR1D (0.49) HTR1DHTR1BHTR1ACYP2C9CYP1A2
SCHEMBL5780146 0.78 HTR1D (0.47) HTR1DHTR1BHTR1ACYP2C9CYP1A2
SCHEMBL5362693 0.72 HTR1A (0.75) HTR1DHTR1BHTR1AADRB1DRD2
SCHEMBL2303627 0.70 HTR1A (0.56) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL5216711 0.68 HTR1D (0.81) HTR1DHTR1BHTR1AADRB1DRD2
SCHEMBL25728287 0.68 CHKA (0.59) HTR1DHTR1BHTR1ACYP1A2
SCHEMBL5364391 0.68 HTR1D (1.00) HTR1DHTR1BHTR1ACYP2C9CYP1A2
SCHEMBL24694886 0.67 HRH3 (0.47) CYP1A2SLC6A4
SCHEMBL31428715 0.67 HRH3 (0.49) CYP1A2

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 5 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-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.