SCHEMBL743822

SCHEMBL743822

COc1ccc2c(c1)CCC21COCC(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.43
CYP2C19 P33261 1/20 0.42
PDE7A Q13946 2/20 0.41
KDM1A O60341 1/20 0.40
PRNP P04156 1/20 0.39
AR P10275 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BACE1 P56817 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL24698421 0.81 TDP2 (0.39) KDM1ABACE1
SCHEMBL3465090 0.81 PDE7A (0.53) ADRA2ACYP2C19PDE7AKDM1AAR
SCHEMBL7823957 0.80 ADRA2A (0.54) ADRA2APDE7APRNPARSMN1; SMN2
SCHEMBL7828016 0.80 ADRA2A (0.54) ADRA2APDE7APRNPSMN1; SMN2BACE1
SCHEMBL743696 0.80 CYP2C19 (0.35) ADRA2ACYP2C19PDE7AKDM1AAR
SCHEMBL742364 0.77 TSHR (0.48) KDM1AALDH1A1
SCHEMBL742411 0.71 KDM1A (0.42) ADRA2ACYP2C19KDM1AARBACE1
SCHEMBL742452 0.71 KDM1A (0.39) ADRA2ACYP2C19KDM1AAR
SCHEMBL1972093 0.71 TSHR (0.58) PDE7A
SCHEMBL28465895 0.70 KDM1A (0.48) ADRA2ACYP2C19PDE7AKDM1ASMN1; SMN2

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-2010540-B1 SPIRO-IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2012-12-05 EP disclosed
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 138/4885CYP2C19 89/4885PDE7A 2119/4885

“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.