SCHEMBL4369596

SCHEMBL4369596

Cc1nc(N)nc(N2CCN(C)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 1.00
HTR6 P50406 2/20 0.54
HRH3 Q9Y5N1 2/20 0.53

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
SCHEMBL5032275 0.88 HRH4 (0.78) HRH4HTR6HRH3
SCHEMBL12257800 0.86 HRH4 (0.74) HRH4
SCHEMBL22924654 0.86 HRH4 (0.74) HRH4
SCHEMBL17309194 0.79 HRH4 (0.66) HRH4
SCHEMBL17581165 0.79 HRH4 (0.66) HRH4HTR6HRH3
SCHEMBL1966112 0.78 HRH4 (0.64) HRH4HRH3
SCHEMBL19439697 0.78 HRH4 (0.64) HRH4HTR6HRH3
SCHEMBL12455903 0.77 HRH4 (1.00) HRH4HTR6
SCHEMBL27457638 0.77 HRH4 (0.62) HRH4
SCHEMBL128037 0.76 HRH4 (0.59) HRH4

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-20230192626-A1 NOVEL SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHOD OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-06-22 US disclosed
EP-2097378-A1 NOVEL SEH INHIBITORS AND THEIR USE Smithkline Beecham Corporation (US) 2009-09-09 EP disclosed
WO-2008105968-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 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-20230192626-A1 NOVEL SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHOD OF USE THEREOF EPHX1, EPHX2, NCEH1 HRH4 291/4885HTR6 2810/4885HRH3 198/4885

“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.