SCHEMBL7598124

SCHEMBL7598124

COc1ccc(N)cc1CN(CCO)CCO

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
PRKCI P41743 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ACHE P22303 2/20 0.44
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 4/20 0.41
USP2 O75604 1/20 0.41
CYP19A1 P11511 2/20 0.40
ADRA1A P35348 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 1/20 0.40
AOC3 Q16853 1/20 0.40
NR4A1 P22736 1/20 0.39

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
SCHEMBL7971601 0.89 MAPT (0.43) SMN1; SMN2MAPTGAAPRKCIKDM4E
Hydrochloric Acid SCHEMBL7599418 0.88 SMN1; SMN2 (0.43) SMN1; SMN2MAPTGAAPRKCIKDM4E
SCHEMBL7960394 0.87 CHRM2 (0.45) MAPTGAAHTTTSHRMAPK1
Hydrochloric Acid SCHEMBL7597748 0.86 CHRM2 (0.44) SMN1; SMN2MAPTGAAHTTTSHR
SCHEMBL27685404 0.81 MAPT (0.52) MAPTGAAHTTTSHRMAPK1
SCHEMBL14568586 0.81 PRKCI (0.62) MAPTGAAHTTTSHRMAPK1
SCHEMBL6272154 0.80 PRKCI (0.47) SMN1; SMN2MAPTHTTTSHRMAPK1
SCHEMBL30780911 0.80 MAPT (0.55) MAPTGAAHTTTSHRMAPK1
SCHEMBL216813 0.80 MAPT (0.55) MAPTGAAHTTTSHRMAPK1
SCHEMBL7891011 0.80 CYP19A1 (0.44) SMN1; SMN2MAPTGAAHTTTSHR

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 SMN1; SMN2 1582/4885MAPT 1559/4885GAA 1814/4885

“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.