SCHEMBL9970928

SCHEMBL9970928

CCCCCN1CCC(c2ccc(Br)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.58
HTR1A P08908 6/20 0.50
DRD1 P21728 6/20 0.50
DRD4 P21917 6/20 0.50
DRD5 P21918 6/20 0.50
DRD3 P35462 6/20 0.50
SIGMAR1 Q99720 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL31223124 0.89 DRD2 (0.73) DRD2DRD1DRD4DRD5DRD3
SCHEMBL256669 0.84 DRD2 (0.58) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL256658 0.84 DRD2 (0.82) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL256656 0.84 DRD2 (0.78) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL15779804 0.83 DRD2 (0.76) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL27571644 0.83 DRD2 (0.76) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL19994717 0.83 SIGMAR1 (0.49) DRD2HTR1ADRD1DRD5DRD3
SCHEMBL9967721 0.82 PRCP (0.48) DRD2SIGMAR1KDM4ERECQLTDP1
SCHEMBL6249416 0.82 DRD2 (0.53) DRD2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL256671 0.81 HRH3 (0.55) DRD2HTR1ADRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD DRD2 1749/4885HTR1A 3423/4885DRD1 449/4885

“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.