SCHEMBL4698526

SCHEMBL4698526

COc1ccc2c(c1)c1c(n2C)-c2cnc(C)n2CC1.CS(=O)(=O)O

nearest known ligand 0.42

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 20)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 1/20 0.41
DRD1 known ✓ P21728 1/20 0.41
DRD5 known ✓ P21918 1/20 0.41
DRD3 known ✓ P35462 1/20 0.41
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ACHE P22303 3/20 0.41
BCHE P06276 1/20 0.41
HTR5A P47898 1/20 0.39
MAOA P21397 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE5A O76074 4/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR6 P50406 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL4699104 0.93 KDM4E (0.47) HSD17B10KDM4EACHEBCHEDRD2
SCHEMBL4701769 0.89 KDM4E (0.46) HSD17B10KDM4EACHEBCHEDRD2
SCHEMBL4700628 0.88 ACHE (0.36) HSD17B10KDM4EACHEBCHEDRD2
SCHEMBL4702510 0.88 BAZ2B (0.41) HSD17B10KDM4EACHEHTR5AMAOA
SCHEMBL4702160 0.87 ALOX15 (0.41) HSD17B10KDM4EACHEDRD2DRD1
SCHEMBL4699549 0.87 KDM4E (0.35) HSD17B10KDM4EHTR5AHTR6ALDH1A1
SCHEMBL4699059 0.84 MAPT (0.41) KDM4EHTR5AMAOAPDE5AALDH1A1
SCHEMBL14345923 0.80 KDM4E (0.44) HSD17B10KDM4EACHEBCHEDRD2
Methane SCHEMBL5632637 0.79 KDM4E (0.43) HSD17B10KDM4EACHEBCHEDRD2
SCHEMBL4701421 0.79 CYP1A2 (0.54) KDM4EACHEBCHEDRD2PDE5A

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 DRD2 127/4885DRD1 49/4885DRD5 135/4885

“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.