SCHEMBL4885947

SCHEMBL4885947

CCn1c(COC(C)=O)nc2cccc(N3CCN(C)CC3)c21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
CSNK1A1 P48729 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4887137 0.83 HTR1A (0.38) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL4163673 0.75 ACHE (0.42) ALDH1A1MAPT
SCHEMBL4882602 0.75 DRD2 (0.43) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL22333200 0.72 ALDH1A1 (0.43) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL27811798 0.71 NCF1 (0.51) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL4889066 0.70 HTR7 (0.44) HTR1ADRD2HTR2AHTR2CMAPT
SCHEMBL5547464 0.70 SLC6A7 (0.34) HTR1ADRD2DRD4DRD3HTR1D
SCHEMBL4888363 0.69 HTR6 (0.61) HRH4
SCHEMBL22333183 0.69 HRH4 (0.42) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL5549018 0.65 NCF1 (0.39) HTR1ADRD2HTR2AHTR2CHTR1D

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-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 EP disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 WO 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-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 HTR1A 3730/4885DRD2 894/4885DRD4 790/4885

“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.