SCHEMBL4882602

SCHEMBL4882602

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
HTR1A P08908 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH4 Q9H3N8 4/20 0.38
HTR3A P46098 3/20 0.38
HTR6 P50406 1/20 0.38
NCF1 P14598 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
HRH1 P35367 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37

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
SCHEMBL4885947 0.75 HTR1A (0.38) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL4170014 0.68 GBA1 (0.46)
SCHEMBL21516018 0.68 HTR6 (0.43) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL3616241 0.68 KDM4E (0.65)
SCHEMBL22333200 0.68 ALDH1A1 (0.43) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL5238295 0.67 MAPT (0.42) HRH4HRH1
SCHEMBL21295080 0.65 PDE7A (0.40)
SCHEMBL5806811 0.65 ADRA2C (0.45) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL4889066 0.65 HTR7 (0.44) DRD2HTR1AHTR2AHTR2C
SCHEMBL22333183 0.65 HRH4 (0.42) DRD2DRD3HTR1ADRD4HTR2A

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 DRD2 894/4885DRD3 781/4885HTR1A 3730/4885

“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.