SCHEMBL9967730

SCHEMBL9967730

CC(C)CCCN1CCC(c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.64
SIGMAR1 Q99720 5/20 0.63
MEN1 O00255 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 1/20 0.61
SLC18A3 Q16572 3/20 0.59
CARM1 Q86X55 1/20 0.59
PRMT6 Q96LA8 1/20 0.59
PRCP P42785 1/20 0.52

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
SCHEMBL8104014 0.90 DRD2 (0.68) DRD2SIGMAR1MEN1TP53CYP1A2
SCHEMBL11932493 0.87 SIGMAR1 (0.45) DRD2SIGMAR1MEN1TP53CYP1A2
SCHEMBL9967721 0.85 PRCP (0.48) DRD2SIGMAR1MEN1TP53CYP1A2
SCHEMBL9967731 0.85 DRD2 (0.68) DRD2MEN1KMT2APRCP
SCHEMBL9967718 0.85 DRD2 (0.55) DRD2SIGMAR1
Hydrochloric Acid SCHEMBL7259165 0.83 SIGMAR1 (0.75) DRD2SIGMAR1MEN1TP53CYP1A2
SCHEMBL29110823 0.83 SLC18A3 (0.66) DRD2SIGMAR1MEN1TP53CYP1A2
SCHEMBL11932474 0.82 DRD2 (0.68) DRD2SIGMAR1CYP3A4
SCHEMBL152587 0.82 DRD2 (0.81) DRD2SIGMAR1MEN1TP53CYP1A2
SCHEMBL9967719 0.81 HRH3 (0.53) DRD2SIGMAR1MEN1

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 6 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
US-20070197546-A1 QUINOLINE-4-CARBOXAMIDE AS NK-2 AND NK-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM SPA, ITALY 2007-08-23 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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD DRD2 1749/4885SIGMAR1 1773/4885MEN1 3414/4885
US-20070197546-A1 QUINOLINE-4-CARBOXAMIDE AS NK-2 AND NK-3 RECEPTOR ANTAGONISTS KCNH2, KCNH3, KCNJ2 DRD2 176/4885SIGMAR1 350/4885MEN1 1638/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD DRD2 1749/4885SIGMAR1 1773/4885MEN1 3414/4885

“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.