SCHEMBL4949038

SCHEMBL4949038

O=C(O)c1n[nH]c2c1CN(C(=O)C1CC1)C2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 17/20 0.47
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.44
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL4948572 0.80 ELANE (0.44) KMT2AEP300CREBBP
SCHEMBL17222996 0.72 HCAR2 (0.43) HCAR2KMT2ATSHR
SCHEMBL5953472 0.72 HCAR2 (0.56) HCAR2KMT2ATSHREP300CREBBP
SCHEMBL13374012 0.70 CREBBP (0.57) HCAR2KMT2ATSHREP300CREBBP
SCHEMBL4943590 0.66 AURKA (0.58) HCAR2KMT2ATSHR
SCHEMBL20818803 0.66 HCAR2 (0.51) HCAR2KMT2ATSHR
SCHEMBL30128141 0.66 CYP2C19 (0.60) HCAR2KMT2ATSHR
SCHEMBL4949121 0.66 AURKA (0.62) HCAR2CREBBP
SCHEMBL14555868 0.65 HCAR2 (1.00) HCAR2KMT2ATSHRSLC6A4
SCHEMBL17223055 0.64 ADORA1 (0.49) HCAR2KMT2ATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP disclosed
EP-1885725-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-13 EP disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 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-20060235013-A1 Tricyclic azole derivatives CYP3A5, CYP3A43, CYP11B1 HCAR2 684/4885KMT2A 2810/4885TSHR 3014/4885

“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.