SCHEMBL5369930

SCHEMBL5369930

COc1ccc2c(ccn2CC2(c3ccccc3Br)OCCO2)n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5361423 0.73 NPSR1 (0.47) TSHRL3MBTL1
SCHEMBL5362970 0.71 MEN1 (0.40) TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL5370826 0.70 MEN1 (0.39) TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL5370815 0.69 NTRK1 (0.39) SMN1; SMN2L3MBTL1NPC1
SCHEMBL5717559 0.65 MTNR1B (0.35) MAPK1
SCHEMBL3214592 0.65 KDM1A (0.36) SMN1; SMN2
SCHEMBL24110592 0.65 MTNR1A (0.37)
SCHEMBL5369243 0.64 CDK4 (0.36) SMN1; SMN2
SCHEMBL11541996 0.63 HTR2C (0.40) TSHRMAPK1SMN1; SMN2L3MBTL1
SCHEMBL24110207 0.62 HTR2C (0.57)

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 TSHR 1941/4885MAPK1 1840/4885SMN1; SMN2 3576/4885
US-20030105087-A1 For therapy of melatoninergic disorders MTNR1A, MTNR1B, TPH1 TSHR 330/4885MAPK1 1782/4885SMN1; SMN2 1363/4885

“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.