SCHEMBL1106414

SCHEMBL1106414

CC(C)c1nc2c(o1)CCN(C)C2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.34
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL1106419 0.86 CYP2C19 (0.37) CHRM3CYP2C19GAACYP3A4TSHR
SCHEMBL8277483 0.77 CHRM3 (0.37) CHRM3CYP2C19CYP3A4TSHRHSD17B10
SCHEMBL22308306 0.72 CHRM3 (0.34) CHRM3CYP2C19CYP3A4TSHRHSD17B10
SCHEMBL12210424 0.72 CHRNB2 (0.31) GAA
SCHEMBL16869975 0.71 DPP4 (0.39) CHRM3CYP2C19CYP3A4TSHRHSD17B10
SCHEMBL798556 0.71 GAA (0.32) GAACYP3A4TSHRHSD17B10LMNA
SCHEMBL14925526 0.69 CYP3A4 (0.49) CHRM3CYP2C19GAACYP3A4TSHR
SCHEMBL17090680 0.68 CYP2C19 (0.53) CHRM3CYP2C19GAALMNA
SCHEMBL14925545 0.68 GAA (0.41) GAA
SCHEMBL18237746 0.68 GAA (0.34) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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 (2 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CHRM3 3770/4885CYP2C19 75/4885GAA 511/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CHRM3 3770/4885CYP2C19 75/4885GAA 511/4885

“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.