SCHEMBL5369243

SCHEMBL5369243

COc1ccc2c(ccn2CCCCBr)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
NTRK1 P04629 1/20 0.34
ABCB1 P08183 1/20 0.34
BRD4 O60885 1/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
STAT3 P40763 1/20 0.32
SMPD1 P17405 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
P2RX7 Q99572 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
SCHEMBL24110592 0.81 MTNR1A (0.37) MTNR1AMTNR1BNTRK1BRD4HTR2A
SCHEMBL24109813 0.78 HTR2C (0.52) MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL5370826 0.78 MEN1 (0.39) CDK4CCND1MTNR1AMTNR1BABCB1
SCHEMBL5372929 0.76 MEN1 (0.42) SMPD1MEN1KMT2A
SCHEMBL5362970 0.75 MEN1 (0.40) CDK4CCND1MTNR1AMTNR1BMAPT
SCHEMBL5841872 0.74 HTR2C (0.55) CDK4CCND1MTNR1AMTNR1BPLG
SCHEMBL5717559 0.73 MTNR1B (0.35) MTNR1AMTNR1BNTRK1BRD4LMNA
SCHEMBL24110207 0.72 HTR2C (0.57) HTR2AHTR2C
SCHEMBL25296265 0.72 HTR2C (0.57) HTR2AHTR2C
SCHEMBL12985369 0.71 NTRK1 (0.42) MTNR1AMTNR1BNTRK1LMNA

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 CDK4 200/4885CCND1 86/4885MTNR1A 450/4885
US-20030105087-A1 For therapy of melatoninergic disorders MTNR1A, MTNR1B, TPH1 CDK4 1699/4885CCND1 1599/4885MTNR1A 1/4885

“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.