SCHEMBL1106401

SCHEMBL1106401

CC(C)C(=N)N1CCC(C(N)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 4/20 0.45
CHRM1 P11229 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 2/20 0.40

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
SCHEMBL1106395 0.83 LMNA (0.47) GAASMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL4546658 0.81 GAA (0.53) GAASMN1; SMN2ALDH1A1CHRM1TDP1
SCHEMBL8277480 0.79 GAA (0.55) GAASMN1; SMN2ALDH1A1CHRM1TSHR
SCHEMBL4849683 0.78 GAA (0.63) GAASMN1; SMN2ALDH1A1CHRM1KDM4E
SCHEMBL12975769 0.78 GAA (0.50) GAASMN1; SMN2ALDH1A1CHRM1TDP1
SCHEMBL15520871 0.76 GAA (0.51) GAASMN1; SMN2ALDH1A1CHRM1TDP1
SCHEMBL15516138 0.76 GAA (0.51) GAASMN1; SMN2ALDH1A1CHRM1TDP1
SCHEMBL3396829 0.76 GAA (0.51) GAASMN1; SMN2ALDH1A1CHRM1TDP1
SCHEMBL18610409 0.74 GAA (0.46) GAASMN1; SMN2ALDH1A1
SCHEMBL10819626 0.74 CPN1 (0.46) GAASMN1; SMN2ALDH1A1CHRM1PKM

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 8 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-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-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
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO 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 GAA 511/4885SMN1; SMN2 4168/4885ALDH1A1 974/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 GAA 511/4885SMN1; SMN2 4168/4885ALDH1A1 974/4885

“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.