SCHEMBL854870

SCHEMBL854870

CC(C)(C)OC(=O)N1CCN(CCCOc2c(-c3ccccc3)[nH]c(=O)c3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.47
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
EPHX2 P34913 6/20 0.44
KIT P10721 1/20 0.44
DTYMK P23919 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
CCR5 P51681 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL15468109 0.95 CHRM2 (0.46) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL854971 0.84 RAB9A (0.52) TNKSPARP1TNKS2PARP2
Hydrochloric Acid SCHEMBL9930596 0.83 RAB9A (0.54) TNKSPARP1TNKS2PARP2
SCHEMBL853850 0.82 DRD3 (0.47) SIGMAR1
SCHEMBL855098 0.81 HRH3 (0.51) TNKSPARP1TNKS2PARP2
SCHEMBL853477 0.81 HRH3 (0.52) PARP1
Trifluoroacetic Acid SCHEMBL854640 0.80 ALDH1A1 (0.47) PARP1
SCHEMBL854569 0.80 PARP1 (0.45) TNKSPARP1TNKS2PARP2SIGMAR1
Hydrochloric Acid SCHEMBL855031 0.79 PARP1 (0.44) CHRM2CHRM4CHRM1CHRM3TNKS
SCHEMBL853866 0.78 POLB (0.47) TNKSPARP1TNKS2PARP2

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
EP-2432765-B1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-03-02 EP disclosed
US-8993594-B2 Isoquinolin-1(2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-13 US disclosed
EP-2432765-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-03-28 EP disclosed
WO-2010133647-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-11-25 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-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 ACKR3 2776/4885CHRM2 4841/4885CHRM4 4872/4885

“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.