SCHEMBL5370422

SCHEMBL5370422

Brc1cnc2c(ccn2CCCOCc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 4/20 0.42
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
FGFR1 P11362 1/20 0.37
FGFR4 P22455 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAOB P27338 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 1/20 0.35
TEAD3 Q99594 1/20 0.35
GCK P35557 2/20 0.34
DRD4 P21917 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL5373073 0.84 MEN1 (0.46) GLO1MAOBMEN1KMT2A
SCHEMBL15712213 0.78 FGFR1 (0.50) GLO1ENPP3ENPP1FGFR1FGFR4
SCHEMBL20873242 0.73 GLO1 (0.49) GLO1ENPP3ENPP1FGFR1FGFR4
SCHEMBL484088 0.73 FGFR1 (0.39) GLO1ENPP3ENPP1FGFR1FGFR4
SCHEMBL31126947 0.72 FGFR1 (0.44) GLO1ENPP3ENPP1FGFR1FGFR4
SCHEMBL16160086 0.72 FGFR1 (0.40) GLO1ENPP3ENPP1FGFR1FGFR4
SCHEMBL857211 0.69 FGFR1 (0.43) GLO1ENPP3ENPP1FGFR1FGFR4
SCHEMBL1417507 0.68 DGAT1 (0.46) GLO1ENPP3ENPP1FGFR1FGFR4
SCHEMBL7859822 0.67 HTR7 (0.42) ENPP3ENPP1FGFR1FGFR4
SCHEMBL15528344 0.67 ALDH1A1 (0.41) ENPP3ENPP1HDAC8MAOBGCK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235550-B2 Polycyclic azaindole compounds LES LABORATOIRES SERVIER (FR) 2007-06-26 US disclosed
US-6667304-B2 Affinity for melatonin receptors; sleep disorders; N-(2-(2-methoxy-6H-pyrido(2',3':4,5)pyrrolo(2,1-a)isoindol-11 -yl)ethyl)acetamide; N-(2-(3-methoxy-6,7,8,9-tetrahydropyrido (3,2-b)indolizin-5-yl) ethyl)acetamide LES LABORATOIRES SERVIER (FR) 2003-12-23 US disclosed
US-20030134847-A1 New polycyclic azaindole compounds GUILLAUMET GERALD (FR) 2003-07-17 US disclosed
US-20030105087-A1 For therapy of melatoninergic disorders GUILLAUMET GERALD (FR) 2003-06-05 US disclosed
EP-1092717-B1 Polycyclic azaindole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-01-08 EP disclosed
US-6495543-B1 TREATING OR PREVENTING MELATONINERGIC DISORDERS LES LABORATOIRES SERVIER (FR) 2002-12-17 US disclosed
EP-1092717-A2 Polycyclic azaindole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-04-18 EP 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-20030134847-A1 New polycyclic azaindole compounds AZI2, DRD3, CCNI GLO1 3818/4885ENPP3 3264/4885ENPP1 2940/4885
US-20030105087-A1 For therapy of melatoninergic disorders MTNR1A, MTNR1B, TPH1 GLO1 879/4885ENPP3 4068/4885ENPP1 3593/4885

“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.