SCHEMBL9967719

SCHEMBL9967719

CC(C)CCCN1CCC(c2ccc(C#N)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.53
HRH2 P25021 6/20 0.53
HRH1 P35367 6/20 0.53
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
DRD2 P14416 1/20 0.44
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
MEN1 O00255 2/20 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
SCHEMBL256671 0.83 HRH3 (0.55) HRH3HRH2HRH1PARP1PARP2
SCHEMBL9967718 0.82 DRD2 (0.55) SIGMAR1DRD2
SCHEMBL9967721 0.82 PRCP (0.48) SIGMAR1DRD2MEN1
SCHEMBL6198374 0.82 HRH3 (0.56) HRH3HRH2HRH1PARP1PARP2
SCHEMBL9967731 0.82 DRD2 (0.68) DRD2MEN1
SCHEMBL9967730 0.81 DRD2 (0.64) SIGMAR1DRD2MEN1
SCHEMBL11932474 0.80 DRD2 (0.68) HRH3SIGMAR1DRD2
SCHEMBL23367743 0.79 HRH3 (0.60) HRH3HRH2HRH1PARP1PARP2
SCHEMBL6134283 0.79 HRH3 (0.60) HRH3HRH2HRH1SIGMAR1DRD2
SCHEMBL25070381 0.77 GRIA1 (0.45) HRH3MEN1

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
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 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 (2 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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD HRH3 3028/4885HRH2 2149/4885HRH1 1648/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD HRH3 3028/4885HRH2 2149/4885HRH1 1648/4885

“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.