SCHEMBL7602000

SCHEMBL7602000

CCCCCCN(CCO)Cc1cccc(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 3/20 0.49
KCNH2 Q12809 1/20 0.46
DRD2 P14416 2/20 0.45
OPRM1 P35372 2/20 0.45
DRD3 P35462 2/20 0.45
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BCHE P06276 3/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 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
SCHEMBL24556413 0.88 MAPT (0.54) TSHRHSD17B10MAPTKCNH2DRD2
SCHEMBL13243056 0.84 TSHR (0.49) TSHRHSD17B10MAPTCYP1A2CYP2D6
SCHEMBL9415962 0.82 KCNH2 (0.57) TSHRHSD17B10MAPTKCNH2DRD2
SCHEMBL28943086 0.82 KCNH2 (0.57) TSHRHSD17B10MAPTKCNH2DRD2
SCHEMBL9415914 0.82 KCNH2 (0.57) TSHRHSD17B10MAPTKCNH2DRD2
SCHEMBL9415963 0.82 KCNH2 (0.57) TSHRHSD17B10MAPTKCNH2DRD2
SCHEMBL9416001 0.82 KCNH2 (0.57) TSHRHSD17B10MAPTKCNH2DRD2
SCHEMBL9415961 0.82 KCNH2 (0.57) TSHRHSD17B10MAPTKCNH2DRD2
SCHEMBL10822735 0.82 KCNH2 (0.57) TSHRHSD17B10MAPTKCNH2DRD2
SCHEMBL7130458 0.82 KCNH2 (0.54) MAPTKCNH2DRD2OPRM1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 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 (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-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 TSHR 866/4885HSD17B10 324/4885MAPT 1559/4885

“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.