SCHEMBL1868922

SCHEMBL1868922

O=C(O)NC1CCN(C2CCC(F)(F)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PARP1 P09874 9/20 0.38
PARP2 Q9UGN5 4/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2B6 P20813 1/20 0.37
HSP90AA1 P07900 2/20 0.36
ACKR3 P25106 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
HRH3 Q9Y5N1 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL17841213 0.87 EPHX2 (0.42) EPHX2POLBHSD17B10SIGMAR1HRH3
SCHEMBL22208127 0.84 POLB (0.46) EPHX2POLBHSD17B10ACKR3SIGMAR1
SCHEMBL6123413 0.83 POLB (0.38) EPHX2POLBHSD17B10PARP1ACKR3
SCHEMBL2772737 0.82 EPHX2 (0.51) EPHX2CHRM2CHRM1CHRM3
SCHEMBL23573288 0.80 POLB (0.56) POLBHSD17B10ACKR3SIGMAR1HRH3
SCHEMBL3369574 0.80 POLB (0.51) POLBHSD17B10CYP2D6ACKR3SIGMAR1
SCHEMBL4746146 0.78 EPHX2 (0.36) EPHX2POLBHSD17B10HSP90AA1ACKR3
SCHEMBL12544593 0.78 CTSK (0.48) EPHX2SIGMAR1
SCHEMBL14760896 0.76 CHRM2 (0.48) EPHX2CHRM2CHRM1CHRM3
SCHEMBL21853654 0.76 HPGDS (0.44) EPHX2POLBHSD17B10SIGMAR1

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-2454236-B1 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2019-09-04 EP disclosed
WO-2015161011-A1 BENZAMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-10-22 WO disclosed
US-8877944-B2 3-oxo-2,3-dihydro-1H-isoindole-4-carboxamides as PARP inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-11-04 US disclosed
US-20120245142-A1 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-09-27 US disclosed
WO-2011006794-A9 3-OXO-2, 3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-05 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-20120245142-A1 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS PARP1, PARP2, PARP3 EPHX2 2213/4885POLB 118/4885HSD17B10 2559/4885

“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.