SCHEMBL4889586

SCHEMBL4889586

CN1CCN(c2cccc3[nH]c(C(C)(C)NC(=O)O)nc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.55
BRD4 O60885 1/20 0.53
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
PRKCZ Q05513 5/20 0.46
CDK2 P24941 4/20 0.46
GNRHR P30968 3/20 0.45
PARP1 P09874 5/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL4882642 0.76 HTR6 (0.68) HTR6BRD4PRKCZCDK2HRH4
SCHEMBL4878647 0.72 CXCR4 (0.44) HTR6GNRHRPARP1HTR1AHTR1D
SCHEMBL4889597 0.71 HTR6 (0.60) HTR6BRD4PRKCZCDK2
SCHEMBL4888363 0.70 HTR6 (0.61) HTR6BRD4PRKCZCDK2HRH4
SCHEMBL23122944 0.70 HTR6 (0.58) HTR6BRD4DRD2DRD3PRKCZ
SCHEMBL21516099 0.68 PARP1 (0.48) HTR6BRD4PARP1
SCHEMBL10004541 0.68 PARP1 (0.55) HTR6BRD4PARP1HTR1A
SCHEMBL1248548 0.67 HTR1A (0.51) HTR6BRD4DRD2DRD4DRD3
SCHEMBL5363679 0.65 GNRHR (0.66) HTR6DRD2DRD4DRD3GNRHR
SCHEMBL7943360 0.64 HRH4 (0.56) HTR6PRKCZCDK2HRH4

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 HTR6 2334/4885BRD4 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.