SCHEMBL4700451

SCHEMBL4700451

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

nearest known ligand 0.39

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
GRIN2B known ✓ Q13224 1/20 0.36
PDE5A O76074 3/20 0.39
AKR1B1 P15121 2/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.37
HRH1 P35367 1/20 0.37
HTR6 P50406 1/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1A1 P14550 1/20 0.37
PER2 O15055 2/20 0.37
CRY1 Q16526 2/20 0.37
CRY2 Q49AN0 2/20 0.37
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4703759 0.90 PDE5A (0.41) PDE5AMAPTKDM4EMAPK1L3MBTL1
SCHEMBL4703082 0.89 ALDH1A1 (0.48) PDE5AAKR1B1HTR6AKR1B10AKR1A1
SCHEMBL4699695 0.88 MAPT (0.49) PDE5AAKR1B1HRH1HTR6AKR1B10
SCHEMBL4699549 0.87 KDM4E (0.35) AKR1B1PTGDR2HRH1HTR6MAPT
SCHEMBL4700031 0.86 PDE5A (0.54) PDE5AHTR6KDM4EALDH1A1HPGD
SCHEMBL14425116 0.82 PDE5A (0.43) PDE5AHRH1HTR6MAPTKDM4E
SCHEMBL4704159 0.78 HSD17B10 (0.38) PDE5APTGDR2HTR6MAPTKDM4E
SCHEMBL14105155 0.78 PDE5A (0.59) PDE5AMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL4701769 0.76 KDM4E (0.46) HRH1HTR6MAPTKDM4EMAPK1
SCHEMBL4703720 0.76 KDM4E (0.37) PTGDR2PER2CRY1CRY2MAPT

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 GRIN2B 165/4885PDE5A 1728/4885AKR1B1 121/4885

“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.