SCHEMBL5372018

SCHEMBL5372018

COc1ccc2c(n1)CC(=O)N2CCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 3/20 0.39
BMPR1A P36894 3/20 0.39
TGFBR1 P36897 3/20 0.39
ACVRL1 P37023 3/20 0.39
ACVR1 Q04771 3/20 0.39
PDE4B Q07343 2/20 0.35
TXNRD1 Q16881 1/20 0.35
HTR7 P34969 2/20 0.35
DRD2 P14416 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL5370733 0.87 HTR7 (0.35) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL6073495 0.70 CYP11B2 (0.42)
SCHEMBL24335289 0.69 POLB (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL1150252 0.69 HPGD (0.46) DRD3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL20095575 0.68 CYP11B2 (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3786053 0.62 TSHR (0.46) ALDH1A1USP2TSHRHSD17B10CASP7
SCHEMBL8338718 0.62 KMT2A (0.49) KDM4EHTTMEN1ALDH1A1KMT2A
SCHEMBL10128095 0.62 MTNR1A (0.30) MTNR1AMTNR1B
SCHEMBL27436775 0.61 CASP2 (0.44) MTNR1AMTNR1BKDM4EHTTMEN1
SCHEMBL10421052 0.61 HDAC3 (0.41) DRD2DRD3MEN1ALDH1A1KMT2A

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 BMPR1B 2482/4885BMPR1A 1792/4885TGFBR1 3681/4885
US-20030105087-A1 For therapy of melatoninergic disorders MTNR1A, MTNR1B, TPH1 BMPR1B 2116/4885BMPR1A 1841/4885TGFBR1 3213/4885

“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.