SCHEMBL7599390

SCHEMBL7599390

COc1ccc(N=C(N)c2ccsc2)cc1CN(C)CCO

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 16/20 0.59
NOS3 P29474 3/20 0.37
NOS1 P29475 3/20 0.37
OPRM1 P35372 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
NOS2 P35228 1/20 0.35

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
SCHEMBL7971736 0.81 QRFPR (0.61) QRFPRNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7598807 0.80 QRFPR (0.60) QRFPRNOS3NOS1NOS2
SCHEMBL7599383 0.74 QRFPR (0.37) QRFPR
SCHEMBL7600942 0.71 QRFPR (0.62) QRFPRNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7598598 0.70 QRFPR (0.61) QRFPRNOS3NOS1NOS2
SCHEMBL7598794 0.70 NOS3 (0.50) QRFPRNOS3NOS1NOS2
SCHEMBL7960394 0.70 CHRM2 (0.45)
SCHEMBL7597204 0.69 NOS1 (0.49) QRFPRNOS3NOS1NOS2
SCHEMBL7602429 0.69 NOS3 (0.49) QRFPRNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7599083 0.69 NOS1 (0.51) QRFPRNOS3NOS1NOS2

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 4 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 claimed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO claimed
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 QRFPR 1455/4885NOS3 3/4885NOS1 1/4885

“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.