SCHEMBL742409

SCHEMBL742409

COc1ccc2c(c1)CCC21COCC2CN=CN21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.38
KDM1A O60341 1/20 0.38
LMNA P02545 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
CYP2C19 P33261 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP3A4 P08684 1/20 0.32
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2B P18089 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
HTR5A P47898 1/20 0.32

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
SCHEMBL3464978 0.82 KDM1A (0.42) ADRA2AKDM1ALMNADRD2DRD3
SCHEMBL729771 0.71 BACE1 (0.38) CYP2C19CYP3A4BACE1
SCHEMBL743695 0.68 ADRA2A (0.37) ADRA2AKDM1ALMNADRD2DRD3
SCHEMBL742457 0.68 STS (0.36) ADRA2AKDM1ALMNACYP2C19
SCHEMBL10085987 0.66 STS (0.36) KDM1ACYP2C19
SCHEMBL742412 0.66 DPP4 (0.41) KDM1ACYP2C19
SCHEMBL744237 0.63 CYP2C19 (0.36) KDM1ALMNACYP2C19PARP1AR
SCHEMBL1495858 0.62 KDM1A (0.53) ADRA2AKDM1ADRD2DRD3DRD1
SCHEMBL742411 0.62 KDM1A (0.42) ADRA2AKDM1ADRD2DRD3CYP2C19
SCHEMBL742452 0.62 KDM1A (0.39) ADRA2AKDM1ADRD2DRD3CYP2C19

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-8138179-B2 Spiro-imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-8138179-B2 Spiro-imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
WO-2007116098-A1 SPIRO-IMIDAZO COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-10-18 WO 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-20090192145-A1 Spiro-Imidazo Compounds REN, NR3C2, AGTR1 ADRA2A 138/4885KDM1A 3697/4885LMNA 650/4885

“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.