SCHEMBL5493770

SCHEMBL5493770

CN(CCC(=O)Nc1cnn(C)c1N)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.36
BUB1 O43683 2/20 0.34
TRPV4 Q9HBA0 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
TERT O14746 2/20 0.30
GBA1 P04062 1/20 0.30
GPR88 Q9GZN0 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
SCHEMBL5493765 0.88 CA1 (0.33) AAK1BUB1
SCHEMBL5499972 0.79 TRPV4 (0.37) AAK1BUB1TRPV4GBA1GPR88
SCHEMBL5500017 0.76 TLR7 (0.36) AAK1HDAC3
Anthranilamide SCHEMBL18824334 0.73 NPC1 (0.41) BUB1HDAC3HDAC8NCOR2
SCHEMBL5501012 0.73 CA1 (0.34)
SCHEMBL6065170 0.72 HTT (0.47)
SCHEMBL2840952 0.72 ALDH1A1 (0.43) HDAC3HDAC8TERT
SCHEMBL5500022 0.71 CNR2 (0.32)
SCHEMBL18990067 0.71 BUB1 (0.36) BUB1
SCHEMBL5493771 0.71 CCNC (0.41)

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
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
EP-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 US disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 AAK1 3712/4885BUB1 929/4885TRPV4 4076/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 AAK1 3166/4885BUB1 990/4885TRPV4 3967/4885

“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.