SCHEMBL4699059

SCHEMBL4699059

CS(=O)(=O)O.Cc1ncc2n1CCc1c-2n(C)c2ccccc12

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 1/20 0.38
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
PDE5A O76074 8/20 0.40
MAOA P21397 4/20 0.40
HTR5A P47898 2/20 0.37
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35

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
SCHEMBL14425146 0.92 MAOA (0.46) MAPTALOX15MAPK1ALDH1A1TSHR
SCHEMBL4701769 0.87 KDM4E (0.46) MAPTALOX15MAPK1ALDH1A1TSHR
SCHEMBL4700031 0.86 PDE5A (0.54) ALDH1A1PDE5AHTR5AKDM4EGSK3A
SCHEMBL4702510 0.86 BAZ2B (0.41) MAPTALOX15MAPK1ALDH1A1MAOA
SCHEMBL4699549 0.85 KDM4E (0.35) MAPTALDH1A1HTR5AKDM4ELMNA
SCHEMBL4698526 0.84 HSD17B10 (0.42) MAPTMAPK1ALDH1A1PDE5AMAOA
SCHEMBL4700628 0.79 ACHE (0.36) MAPTALDH1A1PDE5AMAOAHTR5A
SCHEMBL14105155 0.76 PDE5A (0.59) MAPTALDH1A1TSHRPDE5AHTR5A
SCHEMBL4699148 0.76 BCHE (0.53) MAPTALDH1A1TSHRPDE5AHTR5A
SCHEMBL14345925 0.75 PDE5A (0.47) MAPTALOX15MAPK1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390367-B1 DIHYDROIMIDAZO 5,1-A -$G(b)-CARBOLINE DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINE MACEF (FR) 2008-07-09 EP claimed
US-7291627-B2 Dihydroimidazo[5.1-a]-beta-carboline derivatives, method for their preparation, and their application as a drug MACEF (FR) 2007-11-06 US claimed
US-20060089372-A1 Dihydroimidazo[5,1-a]sg(b)-carboline derivatives, method for preparing same and use thereof as medicine MACEF (FR) 2006-04-27 US claimed
EP-1390367-B1 DIHYDROIMIDAZO 5,1-A -$G(b)-CARBOLINE DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINE MACEF (FR) 2008-07-09 EP disclosed
US-7291627-B2 Dihydroimidazo[5.1-a]-beta-carboline derivatives, method for their preparation, and their application as a drug MACEF (FR) 2007-11-06 US disclosed
US-20060089372-A1 Dihydroimidazo[5,1-a]sg(b)-carboline derivatives, method for preparing same and use thereof as medicine MACEF (FR) 2006-04-27 US 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-20060089372-A1 Dihydroimidazo[5,1-a]sg(b)-carboline derivatives, method for preparing same and use thereof as medicine GDI2, GDI1, CYP2A7 MAOB 223/4885MAPT 4640/4885ALOX15 2043/4885

“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.