SCHEMBL4887137

SCHEMBL4887137

CCn1c(COC(C)=O)nc2c(N3CCN(C)CC3)cccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.38
BRD4 O60885 1/20 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
HTR6 P50406 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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 0.83 HTR1A (0.38) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL4888363 0.73 HTR6 (0.61) BRD4HTR6
SCHEMBL27811798 0.71 NCF1 (0.51) HTR1ABRD4DRD2DRD4HTR2A
SCHEMBL4889339 0.70 SLC6A7 (0.34) HTR1ABRD4DRD4HTR6HTR1D
SCHEMBL7655147 0.67 CNR2 (0.45) TMEM97SIGMAR1ALDH1A1MAPT
SCHEMBL30098077 0.67 HTR6 (0.37) HTR1ABRD4DRD2DRD4HTR2A
SCHEMBL30098186 0.67 HRH4 (0.38) HTR1ABRD4DRD2DRD4HTR2A
SCHEMBL30098041 0.66 HTR6 (0.44) BRD4HTR6RXFP1ALDH1A1
SCHEMBL30098080 0.65 HTR6 (0.36) HTR1ABRD4DRD2DRD4HTR2A
SCHEMBL5387953 0.65 NCF1 (0.38) HTR1ATMEM97SIGMAR1HTR1DHTR1B

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
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 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-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 HTR1A 3730/4885BRD4 427/4885DRD2 894/4885

“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.