SCHEMBL6189372

SCHEMBL6189372

CCOC(=O)C1(CN)CCN(c2ccncc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.54
KDM4E B2RXH2 3/20 0.51
CYP2D6 P10635 6/20 0.48
TSHR P16473 5/20 0.48
CYP2C9 P11712 4/20 0.48
CYP3A4 P08684 4/20 0.48
HIF1A Q16665 2/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.45
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 2/20 0.43
MAPK1 P28482 1/20 0.42

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
Bromide SCHEMBL6189365 0.99 F10 (0.53) F10KDM4ECYP2D6TSHRCYP2C9
SCHEMBL3315322 0.83 CYP2C9 (0.51) F10KDM4ECYP2D6TSHRCYP2C9
SCHEMBL6187228 0.77 ITGB3 (0.51) F10KDM4EALDH1A1GAAITGB3
SCHEMBL6189238 0.74 F10 (0.77) F10KDM4ECYP2D6CYP3A4ALDH1A1
SCHEMBL1161503 0.73 CYP1A2 (0.42) ALDH1A1GAASMN1; SMN2CYP1A2MAPK1
Hydrochloric Acid SCHEMBL1141219 0.72 CYP1A2 (0.41) ALDH1A1SMN1; SMN2CYP1A2MAPK1
SCHEMBL4556747 0.72 MEN1 (0.43) ALDH1A1
SCHEMBL392657 0.72 AKT1 (0.60)
SCHEMBL6187083 0.71 HIF1A (0.60) CYP2D6TSHRCYP2C9CYP3A4HIF1A
SCHEMBL7958507 0.71 HPGD (0.55) KDM4ETSHRALDH1A1GAAHPGD

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
EP-1070714-A9 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2005-10-19 EP disclosed
EP-1070714-B1 AMIDINE COMPOUNDS JAPAN TOBACCO INC (JP) 2004-08-04 EP disclosed
US-20040006099-A1 Amidine compounds JAPAN TOBACCO INC. 2004-01-08 US disclosed
US-6562828-B1 Novel amidine compound having a blood coagulation factor Xa inhibitory activity JAPAN TOBACCO INC. (JP) 2003-05-13 US disclosed
EP-1070714-A1 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2001-01-24 EP 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 (1 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-20040006099-A1 Amidine compounds F2, SERPINC1, F12 F10 16/4885KDM4E 2441/4885CYP2D6 655/4885

“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.