SCHEMBL4882642

SCHEMBL4882642

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

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.68
BRD4 O60885 1/20 0.53
PRKCZ Q05513 10/20 0.46
CDK2 P24941 8/20 0.46
SLC40A1 Q9NP59 1/20 0.45
HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL4888363 0.80 HTR6 (0.61) HTR6BRD4PRKCZCDK2HRH4
SCHEMBL11001624 0.78 ALDH1A1 (0.53) HRH4
SCHEMBL4889586 0.76 HTR6 (0.55) HTR6BRD4PRKCZCDK2HRH4
SCHEMBL20297892 0.74 POLB (0.43)
SCHEMBL16176683 0.73 CACNA1B (0.54) SLC40A1
SCHEMBL4889402 0.73 BACE1 (0.49) HTR6
SCHEMBL4889158 0.72 HTR6 (0.53) HTR6BRD4SLC40A1
SCHEMBL4889597 0.72 HTR6 (0.60) HTR6BRD4PRKCZCDK2
SCHEMBL4708661 0.71 HTR6 (0.46) HTR6
SCHEMBL4889066 0.71 HTR7 (0.44)

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 427/4885PRKCZ 1808/4885

“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.