SCHEMBL5498900

SCHEMBL5498900

Cn1ncc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1N

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
HSD17B10 Q99714 1/20 0.56
DRD4 P21917 4/20 0.54
DRD2 P14416 3/20 0.54
DRD3 P35462 2/20 0.54
KMT2A Q03164 1/20 0.54
SIGMAR1 Q99720 3/20 0.53
KAT2B Q92831 5/20 0.52
CCR3 P51677 2/20 0.51
TSHR P16473 1/20 0.50
DCUN1D1 Q96GG9 1/20 0.49
MCHR1 Q99705 1/20 0.48

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
SCHEMBL5498904 1.00 KDM4E (0.56) KDM4EHSD17B10DRD4DRD2DRD3
SCHEMBL239528 0.80 DRD4 (0.71) DRD4DRD2DRD3KMT2ASIGMAR1
SCHEMBL239527 0.80 DRD4 (0.71) DRD4DRD2DRD3KMT2ASIGMAR1
SCHEMBL5493330 0.80 TRPV1 (0.39) KDM4E
SCHEMBL31616402 0.79 ALDH1A1 (0.64) KDM4EHSD17B10DRD4DRD2DRD3
SCHEMBL31616449 0.79 ALDH1A1 (0.64) KDM4EHSD17B10DRD4DRD2DRD3
SCHEMBL31616379 0.78 SIGMAR1 (0.62) KDM4EHSD17B10DRD4DRD2DRD3
SCHEMBL31616362 0.78 SIGMAR1 (0.62) KDM4EHSD17B10DRD4DRD2DRD3
SCHEMBL31616468 0.77 SIGMAR1 (0.71) KDM4EHSD17B10DRD4DRD2DRD3
SCHEMBL31616372 0.77 SIGMAR1 (0.71) KDM4EHSD17B10DRD4DRD2DRD3

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 KDM4E 3379/4885HSD17B10 207/4885DRD4 967/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 KDM4E 3077/4885HSD17B10 145/4885DRD4 979/4885

“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.