SCHEMBL4699148

SCHEMBL4699148

CS(=O)(=O)O.Cc1ncc2n1CCc1c-2[nH]c2ccccc12

nearest known ligand 0.53

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
HTR1A known ✓ P08908 2/20 0.44
ADRB2 known ✓ P07550 1/20 0.44
HTR2A known ✓ P28223 1/20 0.44
HTR2C known ✓ P28335 1/20 0.44
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
CYP1A1 P04798 12/20 0.48
CYP1B1 Q16678 12/20 0.48
CYP1A2 P05177 11/20 0.48
POLB P06746 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
PDE5A O76074 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48

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
SCHEMBL4704488 0.88 ALDH1A1 (0.46) BCHEACHECYP1A1CYP1B1CYP1A2
SCHEMBL4703977 0.86 CYP1A2 (0.46) BCHEACHECYP1A1CYP1B1CYP1A2
SCHEMBL4702154 0.86 CYP1A1 (0.46) BCHEACHECYP1A1CYP1B1CYP1A2
SCHEMBL4699100 0.86 BCHE (0.42) BCHEACHECYP1A1CYP1B1CYP1A2
SCHEMBL4701421 0.84 CYP1A2 (0.54) BCHEACHECYP1A1CYP1B1CYP1A2
SCHEMBL4699107 0.79 CYP1A2 (0.46) BCHEACHECYP1A1CYP1B1CYP1A2
SCHEMBL5943555 0.78 ALDH1A1 (0.50) BCHEACHECYP1A1CYP1B1CYP1A2
SCHEMBL14425117 0.76 CYP1A1 (0.49) BCHEACHECYP1A1CYP1B1CYP1A2
SCHEMBL4699059 0.76 MAPT (0.41) CYP1A2KDM4EPDE5AALDH1A1LMNA
SCHEMBL14345922 0.75 BCHE (0.62) BCHEACHECYP1A1CYP1B1CYP1A2

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
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 HTR1A 226/4885ADRB2 58/4885HTR2A 311/4885

“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.