SCHEMBL4699371

SCHEMBL4699371

COc1ccc2[nH]c3c(c2c1)CCn1c-3cnc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.53
KDM4E B2RXH2 5/20 0.53
CYP1A1 P04798 5/20 0.53
CYP1B1 Q16678 5/20 0.53
MAPT P10636 4/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
POLB P06746 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
NFKB1 P19838 2/20 0.53
ESR1 P03372 1/20 0.53
TP53 P04637 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP2D6 P10635 3/20 0.52
ALOX15 P16050 3/20 0.52
HTR7 P34969 3/20 0.52

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
SCHEMBL4704080 0.85 CYP1A2 (0.58) CYP1A2KDM4ECYP1A1CYP1B1MAPT
SCHEMBL4699582 0.81 CYP1A2 (0.61) CYP1A2KDM4ECYP1A1CYP1B1MAPT
SCHEMBL4699401 0.81 CYP1A2 (0.51) CYP1A2KDM4ECYP1A1CYP1B1MAPT
SCHEMBL4701421 0.79 CYP1A2 (0.54) CYP1A2KDM4ECYP1A1CYP1B1MAPT
SCHEMBL4701411 0.75 KDM4E (0.56) CYP1A2KDM4ECYP1A1CYP1B1MAPT
SCHEMBL8037852 0.74 CYP1A2 (0.58) CYP1A2KDM4ECYP1A1CYP1B1MAPT
SCHEMBL8025906 0.74 CYP1A2 (0.61) CYP1A2KDM4ECYP1A1CYP1B1MAPT
SCHEMBL14345924 0.74 CYP1A2 (0.63) CYP1A2KDM4ECYP1A1CYP1B1MAPT
SCHEMBL14345763 0.73 CYP1A2 (0.59) CYP1A2KDM4ECYP1A1CYP1B1MAPT
SCHEMBL14345706 0.72 CYP1A2 (0.53) CYP1A2KDM4ECYP1A1CYP1B1MAPT

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 CYP1A2 37/4885KDM4E 2939/4885CYP1A1 96/4885

“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.