SCHEMBL13618628

SCHEMBL13618628

CCCCN1C(=O)COc2ccc(C)cc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
HTT P42858 1/20 0.64
POLB P06746 3/20 0.63
TP53 P04637 1/20 0.61
THRB P10828 1/20 0.60
PLK1 P53350 1/20 0.60
MAPT P10636 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
GAA P10253 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL10181988 0.96 TSHR (0.62) TSHRHTTPOLBTP53THRB
SCHEMBL13091199 0.92 TSHR (0.67) TSHRHTTPOLBTP53THRB
SCHEMBL4059758 0.89 TSHR (0.64) TSHRHTTPOLBTP53THRB
SCHEMBL12052569 0.88 TSHR (0.66) TSHRHTTPOLBTP53THRB
SCHEMBL1764373 0.88 TSHR (0.62) TSHRHTTPOLBTP53THRB
SCHEMBL13618149 0.88 TSHR (0.62) TSHRHTTPOLBTP53THRB
SCHEMBL4102493 0.88 TSHR (0.62) TSHRHTTPOLBTP53THRB
SCHEMBL1764374 0.86 TSHR (0.61) TSHRHTTPOLBTP53THRB
SCHEMBL10181902 0.86 TSHR (0.64) TSHRHTTPOLBTP53THRB
SCHEMBL5986135 0.85 TSHR (0.70) TSHRHTTPOLBTP53PLK1

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-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT TSHR 2563/4885HTT 3604/4885POLB 1491/4885

“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.