SCHEMBL11925296

SCHEMBL11925296

CC(C)N1C(N2CCN(C)CC2)=c2ccccc2=Nc2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.42
HRH4 Q9H3N8 9/20 0.42
DRD4 P21917 7/20 0.42
HRH1 P35367 4/20 0.41
HRH2 P25021 3/20 0.41
HRH3 Q9Y5N1 2/20 0.41
DRD1 P21728 5/20 0.40
CHRM1 P11229 4/20 0.39
DRD3 P35462 4/20 0.39
CHRM2 P08172 3/20 0.39
HTR1A P08908 3/20 0.39
ADRA2A P08913 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
CHRM3 P20309 3/20 0.39
SLC6A2 P23975 3/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
SLC6A4 P31645 3/20 0.39
ADRA1A P35348 3/20 0.39

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
SCHEMBL11929726 0.86 DRD2 (0.47) DRD2HRH4DRD4HRH1HRH2
SCHEMBL21887284 0.84 DRD2 (0.43) DRD2HRH4DRD4HRH1HRH2
SCHEMBL26598838 0.84 DRD2 (0.43) DRD2HRH4DRD4HRH1HRH2
SCHEMBL23125441 0.77 DRD1 (0.40) DRD2HRH4DRD4DRD1LMNA
SCHEMBL24199398 0.76 DRD2 (0.40) DRD2HRH4DRD4DRD1LMNA
SCHEMBL20751562 0.76 DRD2 (0.38) DRD2HRH4DRD4DRD1
SCHEMBL20751674 0.75 DRD1 (0.38) DRD2DRD4DRD1ADRA2AHTR2A
SCHEMBL15047808 0.75 DRD2 (0.39) DRD2HRH4DRD4DRD1
SCHEMBL24199399 0.74 DRD2 (0.41) DRD2HRH4DRD4DRD1ADRA2A
SCHEMBL23125443 0.74 DRD2 (0.41) DRD2HRH4DRD4DRD1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194732-A1 MULTI-API LOADING PRODRUGS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 US disclosed
US-20160024011-A1 Multi-API Loading Prodrugs ALKERMES PHARMA IRELAND LTD (IE) 2016-01-28 US disclosed
US-20120202823-A1 Multi-API Loading Prodrugs ALKERMES, INC. 2012-08-09 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-20160024011-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 DRD2 3840/4885HRH4 250/4885DRD4 4140/4885
US-20120202823-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 DRD2 3840/4885HRH4 250/4885DRD4 4140/4885
US-20180194732-A1 MULTI-API LOADING PRODRUGS AADAC, PAICS, ABCG2 DRD2 3840/4885HRH4 250/4885DRD4 4140/4885

“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.