SCHEMBL9967731

SCHEMBL9967731

CC(C)CCCN1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.68
DRD3 P35462 4/20 0.55
HTR1A P08908 3/20 0.55
HTR2A P28223 3/20 0.55
DRD1 P21728 1/20 0.55
DRD5 P21918 1/20 0.55
DRD4 P21917 1/20 0.51
MCHR1 Q99705 1/20 0.49
ADRB2 P07550 1/20 0.49
ADRA2A P08913 1/20 0.49
LSS P48449 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PRCP P42785 1/20 0.48
CX3CR1 P49238 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
SCHEMBL9967721 0.85 PRCP (0.48) DRD2MEN1KMT2APRCP
SCHEMBL9967718 0.85 DRD2 (0.55) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL9967730 0.85 DRD2 (0.64) DRD2MEN1KMT2APRCP
SCHEMBL11932474 0.83 DRD2 (0.68) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL256658 0.82 DRD2 (0.82) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL9967719 0.82 HRH3 (0.53) DRD2MEN1
SCHEMBL11023284 0.81 DRD2 (0.71) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL24294649 0.79 SIGMAR1 (0.45) DRD2MEN1KMT2A
SCHEMBL11021738 0.78 DRD2 (0.75) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL11790517 0.78 DRD2 (0.63) DRD2DRD3HTR1AHTR2ADRD1

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 DRD2 1749/4885DRD3 2101/4885HTR1A 3423/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD DRD2 1749/4885DRD3 2101/4885HTR1A 3423/4885

“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.