SCHEMBL6187083

SCHEMBL6187083

COC(=O)C1(N)CCN(c2ccncc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.60
CYP2C9 P11712 7/20 0.54
TSHR P16473 5/20 0.54
CYP3A4 P08684 8/20 0.53
CYP2D6 P10635 8/20 0.53
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 4/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.45
GAA P10253 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
SCHEMBL21083725 0.85 CYP3A4 (0.58) HIF1ACYP2C9TSHRCYP3A4CYP2D6
SCHEMBL30593971 0.74 CHKA (0.55) HIF1ACYP2C9TSHRCYP3A4CYP2D6
SCHEMBL23288947 0.73 KCNH2 (0.43) CYP3A4CYP2D6CYP2C19ALDH1A1ITGB3
SCHEMBL15217514 0.72 ADRA2C (0.47) CYP3A4CYP2C19ALDH1A1SMN1; SMN2MAPK1
SCHEMBL29514514 0.72 CYP2C9 (0.59) HIF1ACYP2C9TSHRCYP3A4CYP2D6
SCHEMBL38663059 0.72 HIF1A (0.76) HIF1ACYP2C9TSHRCYP3A4CYP2D6
SCHEMBL3315322 0.71 CYP2C9 (0.51) HIF1ACYP2C9TSHRCYP3A4CYP2D6
SCHEMBL6189372 0.71 F10 (0.54) HIF1ACYP2C9TSHRCYP3A4CYP2D6
Methane SCHEMBL4241075 0.71 CHKA (0.55) HIF1ACYP2C9TSHRCYP3A4CYP2D6
SCHEMBL23875490 0.70 CHKA (0.59) HIF1ACYP2C9TSHRCYP3A4CYP2D6

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 6 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
CN-1305470-A Amidine compounds JAPAN TOBACCO INC (JP) 2001-07-25 CN 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 HIF1A 681/4885CYP2C9 92/4885TSHR 389/4885

“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.