SCHEMBL172123

SCHEMBL172123

CCCCOc1cc(N2CCC(=O)CC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.48
ELOVL1 Q9BW60 1/20 0.47
HRH4 Q9H3N8 4/20 0.42

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
SCHEMBL20000560 0.86 ELOVL1 (0.61) ACACBELOVL1HRH4
SCHEMBL799028 0.77 ACACB (0.46) ACACBELOVL1HRH4
SCHEMBL7337356 0.73 LTA4H (0.52)
SCHEMBL15019849 0.73 LTA4H (0.52)
SCHEMBL5729251 0.73 LDHA (0.40) HRH4
SCHEMBL19468728 0.72 ELOVL1 (0.58) ACACBELOVL1HRH4
SCHEMBL19468798 0.72 ELOVL1 (0.55) ACACBELOVL1HRH4
SCHEMBL5731145 0.70 LMNA (0.38) HRH4
SCHEMBL2270031 0.70 HTR7 (0.44) HRH4
SCHEMBL5728966 0.70 LNPEP (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 ACACB 2037/4885ELOVL1 3356/4885HRH4 3729/4885

“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.