SCHEMBL666428

SCHEMBL666428

c1ccc2[nH]c(C3CCN3C3CCCCC3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.56
HTR2B P41595 3/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
PKM P14618 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL663556 0.99 PARP1 (0.57) PARP1HTR2BBCHEACHEPKM
SCHEMBL665125 0.96 PARP1 (0.54) PARP1HTR2BBCHEACHEPKM
SCHEMBL663316 0.90 PARP1 (0.49) PARP1PKMPOLB
SCHEMBL666466 0.90 PARP1 (0.49) PARP1PKMPOLB
SCHEMBL665174 0.77 PARP1 (0.56) PARP1HTR2BPKMNPC1RAB9A
SCHEMBL18536426 0.77 PARP1 (0.58) PARP1BCHEACHEPKM
SCHEMBL664093 0.77 PARP1 (0.58) PARP1HTR2BPKMPOLB
SCHEMBL724921 0.77 NPC1 (0.62) HTR2BNPC1RAB9APOLB
SCHEMBL6757201 0.77 NPC1 (0.62) HTR2BNPC1RAB9APOLB
SCHEMBL665267 0.76 PARP1 (0.59) PARP1HTR2BPKMPOLB

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 3 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

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 1566/4885BCHE 4636/4885
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1566/4885BCHE 4636/4885
US-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1566/4885BCHE 4636/4885

“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.