SCHEMBL4703759

SCHEMBL4703759

CCn1c2c(c3cc(C)ccc31)CCn1c-2cnc1C.CS(=O)(=O)O

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 20)

geneUniProtsupporting neighboursconfidence
GRIN2D known ✓ O15399 1/20 0.37
GRIN3B known ✓ O60391 1/20 0.37
GRIN1 known ✓ Q05586 1/20 0.37
GRIN2A known ✓ Q12879 1/20 0.37
GRIN2B known ✓ Q13224 1/20 0.37
GRIN2C known ✓ Q14957 1/20 0.37
GRIN3A known ✓ Q8TCU5 1/20 0.37
PDE5A O76074 4/20 0.41
HSD17B10 Q99714 6/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 6/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 6/20 0.37
LMNA P02545 4/20 0.37
MAPK1 P28482 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PPARG P37231 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
SCHEMBL14425116 0.93 PDE5A (0.43) PDE5AHSD17B10HPGDKDM4EALDH1A1
SCHEMBL4699695 0.90 MAPT (0.49) PDE5AHSD17B10CYP1A2HPGDKDM4E
SCHEMBL4700451 0.90 PDE5A (0.39) PDE5AHSD17B10HPGDKDM4EALDH1A1
SCHEMBL4700031 0.88 PDE5A (0.54) PDE5AHPGDKDM4EALDH1A1
SCHEMBL4704159 0.87 HSD17B10 (0.38) PDE5AHSD17B10CYP1A2CYP2D6HPGD
SCHEMBL4701769 0.86 KDM4E (0.46) HSD17B10CYP1A2CYP2D6HPGDKDM4E
SCHEMBL14105155 0.79 PDE5A (0.59) PDE5AHSD17B10HPGDKDM4EALDH1A1
SCHEMBL4702510 0.77 BAZ2B (0.41) HSD17B10CYP1A2HPGDKDM4EALDH1A1
SCHEMBL4699549 0.76 KDM4E (0.35) HSD17B10CYP1A2HPGDKDM4EALDH1A1
SCHEMBL4698526 0.76 HSD17B10 (0.42) PDE5AHSD17B10CYP1A2CYP2D6HPGD

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 5 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
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 GRIN2D 825/4885GRIN3B 319/4885GRIN1 338/4885

“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.