SCHEMBL5361852

SCHEMBL5361852

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 10/20 0.52
F13A1 P00488 7/20 0.52
TGM1 P22735 4/20 0.52
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL7014107 0.84 HTR2C (0.52) TGM2F13A1TGM1
SCHEMBL5635199 0.83 GAA (0.54) GAAALDH1A1
SCHEMBL5355137 0.80 HTR2C (0.52) SMN1; SMN2TSHR
SCHEMBL25221277 0.80 ALDH1A1 (0.52) MAPK1GAASMN1; SMN2ALDH1A1CYP2C9
SCHEMBL25723347 0.78 TGM2 (0.53) TGM2F13A1TGM1LMNA
SCHEMBL3210642 0.78 TGM2 (0.59) TGM2F13A1TGM1SMN1; SMN2
SCHEMBL31130216 0.77 BRD4 (0.46) ALDH1A1LMNATSHR
SCHEMBL31129859 0.77 BRD4 (0.46) ALDH1A1LMNATSHR
SCHEMBL31539422 0.77 USP2 (0.50) SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL30555215 0.77 GAA (0.60) TGM2F13A1TGM1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169788-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-01-30 US disclosed
US-7169788-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-01-30 US disclosed
US-7101884-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-09-05 US disclosed
US-20050070546-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2005-03-31 US disclosed
US-20040220216-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2004-11-04 US disclosed
WO-2003037252-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-08 WO disclosed
WO-2003024969-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-27 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-20040220216-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 TGM2 2470/4885F13A1 3498/4885TGM1 1946/4885
US-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 TGM2 2470/4885F13A1 3498/4885TGM1 1946/4885

“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.