SCHEMBL19484373

SCHEMBL19484373

CCC(=O)OC1CCCn2c1nc(C)c(CCN1CCC(c3noc4cc(F)ccc34)CC1)c2=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.76
DRD2 P14416 14/20 0.76
HTR7 P34969 9/20 0.76
KCNH2 Q12809 9/20 0.76
DRD3 P35462 3/20 0.76
ADRA2A P08913 2/20 0.76
ADRA2B P18089 2/20 0.76
ADRA2C P18825 2/20 0.76
DRD1 P21728 2/20 0.76
DRD4 P21917 2/20 0.76
DRD5 P21918 2/20 0.76
HTR1D P28221 2/20 0.76
HTR1B P28222 2/20 0.76
HTR2C P28335 2/20 0.76
ADRA1A P35348 2/20 0.76
HRH1 P35367 2/20 0.76
SCN5A Q14524 2/20 0.76
KCND3 Q9UK17 1/20 0.76
ACHE P22303 3/20 0.67
SLC6A4 P31645 2/20 0.67

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
SCHEMBL15489518 0.93 DRD2 (0.74) HTR2ADRD2HTR7KCNH2DRD3
SCHEMBL12428786 0.93 DRD2 (0.78) HTR2ADRD2HTR7KCNH2DRD3
SCHEMBL1958487 0.92 HTR2A (0.73) HTR2ADRD2HTR7KCNH2DRD3
SCHEMBL12414762 0.92 HTR2A (0.73) HTR2ADRD2HTR7KCNH2DRD3
SCHEMBL6883333 0.92 HTR2A (0.75) HTR2ADRD2HTR7KCNH2DRD3
SCHEMBL24018542 0.92 DRD2 (0.71) HTR2ADRD2HTR7KCNH2DRD3
Paliperidone Palmitate SCHEMBL1871384 0.92 DRD2 (0.71) HTR2ADRD2HTR7KCNH2DRD3
Paliperidone Palmitate SCHEMBL18131955 0.92 DRD2 (0.71) HTR2ADRD2HTR7KCNH2DRD3
SCHEMBL7343354 0.92 DRD2 (0.71) HTR2ADRD2HTR7KCNH2DRD3
SCHEMBL4273254 0.92 DRD2 (0.71) HTR2ADRD2HTR7KCNH2DRD3

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-20170298147-A1 ANTIBODIES TO PALIPERIDONE HAPTENS AND USE THEREOF JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 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-20170298147-A1 ANTIBODIES TO PALIPERIDONE HAPTENS AND USE THEREOF LY96, OPRL1, HTR3C HTR2A 33/4885DRD2 380/4885HTR7 160/4885

“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.