SCHEMBL744235

SCHEMBL744235

CNC1=NC2(CCc3cc(OC)ccc32)COC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.39
KDM1A O60341 1/20 0.38
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
AR P10275 2/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2B P18089 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 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
SCHEMBL3465741 0.81 KDM1A (0.46) ADRA2AKDM1ACYP3A4SMN1; SMN2LMNA
SCHEMBL741397 0.77 KDM1A (0.37) ADRA2AKDM1ACYP3A4SMN1; SMN2LMNA
SCHEMBL743695 0.67 ADRA2A (0.37) ADRA2AKDM1ACYP3A4LMNADRD2
SCHEMBL743822 0.66 ADRA2A (0.43) ADRA2AKDM1ASMN1; SMN2ARBACE1
SCHEMBL1495858 0.65 KDM1A (0.53) ADRA2AKDM1ACYP3A4SMN1; SMN2DRD2
SCHEMBL19469584 0.64 SMN1; SMN2 (0.69) ADRA2AKDM1ACYP3A4SMN1; SMN2LMNA
SCHEMBL19469633 0.64 SMN1; SMN2 (0.69) ADRA2AKDM1ACYP3A4SMN1; SMN2LMNA
SCHEMBL19469587 0.64 SMN1; SMN2 (0.69) ADRA2AKDM1ACYP3A4SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL23421993 0.63 KDM1A (0.50) ADRA2AKDM1ACYP3A4SMN1; SMN2DRD2
SCHEMBL3465126 0.63 KDM1A (0.44) ADRA2AKDM1ACYP3A4SMN1; SMN2LMNA

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 3697/4885CYP3A4 99/4885

“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.