SCHEMBL4047650

SCHEMBL4047650

COc1ccc2c(c1)c([C@@H]1CCN(C)C1)c1n2Cc2ccccc2-1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.51
MTNR1B P49286 15/20 0.51
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR1A P08908 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
SCHEMBL4047654 1.00 MTNR1A (0.51) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL4049338 1.00 MTNR1A (0.51) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL14177909 0.88 MTNR1A (0.39) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL14177908 0.84 MTNR1A (0.42) MTNR1AMTNR1BKDM4EHPGDTSHR
SCHEMBL5113466 0.80 HTR1A (0.43) KDM4EHTR1AHTR1DHTR1BHTR2A
SCHEMBL5113470 0.80 HTR1A (0.43) KDM4EHTR1AHTR1DHTR1BHTR2A
SCHEMBL4049451 0.79 HTR6 (0.53) MTNR1AKDM4EALDH1A1CYP1A2MAPT
SCHEMBL3324374 0.79 HTR6 (0.53) MTNR1AKDM4EALDH1A1CYP1A2MAPT
SCHEMBL4058308 0.79 HTR6 (0.53) MTNR1AKDM4EALDH1A1CYP1A2MAPT
SCHEMBL4050271 0.73 HTR6 (0.46) KDM4EALDH1A1CYP1A2MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1704154-B1 NOVEL INDENO [2,1A]INDENES AND ISOINDOL [2,1-A]INDOLES SUVEN LIFE SCIENCES LTD (IN) 2009-05-06 EP claimed
US-7388024-B2 Indeno[2,1A]indenes and isoindolo[2,1-A]indoles SUVEN LIFE SCIENCES LIMITED (IN) 2008-06-17 US claimed
US-20070054946-A1 Novel indeno[2,1A]indenes and isoindolo[2,1-A]indoles SUVEN LIFE SCIENCES LIMITED (IN) 2007-03-08 US claimed
EP-1704154-A1 NOVEL INDENO [2,1A]INDENES AND ISOINDOL [2,1-A]INDOLES Suven Life Sciences Limited (IN) 2006-09-27 EP claimed
WO-2005066184-A1 NOVEL INDENO[2,1A]INDENES AND ISOINDOL[2,1-A]INDOLES SUVEN LIFE SCIENCES LIMITED (IN) 2005-07-21 WO claimed
EP-1704154-B1 NOVEL INDENO [2,1A]INDENES AND ISOINDOL [2,1-A]INDOLES SUVEN LIFE SCIENCES LTD (IN) 2009-05-06 EP disclosed
US-7388024-B2 Indeno[2,1A]indenes and isoindolo[2,1-A]indoles SUVEN LIFE SCIENCES LIMITED (IN) 2008-06-17 US disclosed
US-20070054946-A1 Novel indeno[2,1A]indenes and isoindolo[2,1-A]indoles SUVEN LIFE SCIENCES LIMITED (IN) 2007-03-08 US disclosed
EP-1704154-A1 NOVEL INDENO [2,1A]INDENES AND ISOINDOL [2,1-A]INDOLES Suven Life Sciences Limited (IN) 2006-09-27 EP disclosed
WO-2005066184-A1 NOVEL INDENO[2,1A]INDENES AND ISOINDOL[2,1-A]INDOLES SUVEN LIFE SCIENCES LIMITED (IN) 2005-07-21 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-20070054946-A1 Novel indeno[2,1A]indenes and isoindolo[2,1-A]indoles IDO1, IDO2, OPRD1 MTNR1A 122/4885MTNR1B 126/4885KDM4E 1535/4885

“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.