SCHEMBL662575

SCHEMBL662575

CC(C)N1CCC(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.60
HTR2B P41595 3/20 0.50
PKM P14618 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL9963141 0.92 PARP1 (0.61) PARP1HTR2BPKMPOLBKDM4E
SCHEMBL665072 0.92 PARP1 (0.58) PARP1HTR2BPKMPARP2KMT2A
SCHEMBL18781846 0.89 HTR2B (0.52) PARP1HTR2BPKMPOLBKDM4E
SCHEMBL9869744 0.82 PKM (0.56) PARP1HTR2BPKMPOLBKDM4E
SCHEMBL30365989 0.82 PKM (0.56) PARP1HTR2BPKMPOLBKDM4E
SCHEMBL664921 0.82 HTR2B (0.57) HTR2BPKMPOLBKDM4EKMT2A
SCHEMBL9869376 0.80 HTR2B (0.60) HTR2BPKMPOLBKDM4EKMT2A
SCHEMBL14833923 0.79 POLB (0.40) PARP1HTR2BPKMPOLB
SCHEMBL6883705 0.79 PKM (0.62) PARP1HTR2BPKMKMT2A
SCHEMBL666433 0.77 PARP1 (0.60) PARP1HTR2BPKMPARP2POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2012-02-23 US disclosed
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110151023-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-5063228-A 4-(substitutedaminoethyl)-3,4-dihydro-2-alkylpyrimido[1,6-a]benzimidazol-1(2H)-ones as antiarrhythmic agents A. H. ROBBINS COMPANY, INCORPORATED (US) 1991-11-05 US 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 (3 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-20110151023-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1566/4885PKM 450/4885
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1566/4885PKM 450/4885
US-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1566/4885PKM 450/4885

“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.