SCHEMBL803470

SCHEMBL803470

CC(C)(C)CC1CCC(Cc2cnccn2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.35
PIK3C3 Q8NEB9 4/20 0.33
PIK3CD O00329 3/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
VNN1 O95497 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL25235377 0.88 MAP4K4 (0.40) MAP4K4PIK3C3PIK3CDJAK2JAK1
SCHEMBL3507744 0.79 HRH4 (0.44) MAP4K4LMNA
SCHEMBL803082 0.78 SCN9A (0.40)
SCHEMBL803465 0.77 GABRA1 (0.41) LMNA
SCHEMBL28310570 0.76 HRH3 (0.49) MAP4K4
SCHEMBL803472 0.75 PIK3C3 (0.35) PIK3C3PIK3CD
SCHEMBL31200336 0.74 PLG (0.41) VNN1CYP2C19LMNA
SCHEMBL31200334 0.74 PLG (0.41) VNN1CYP2C19LMNA
SCHEMBL31200124 0.73 KDM4E (0.54) JAK2JAK1JAK3VNN1CYP1A2
SCHEMBL803402 0.73 TNKS (0.36) JAK2JAK1LMNA

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 MAP4K4 1124/4885PIK3C3 4639/4885PIK3CD 4174/4885

“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.