SCHEMBL19379239

SCHEMBL19379239

CN[C@H]1CC[C@@H](N2CCc3ccc(NC(=N)c4cccs4)cc32)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 16/20 0.65
NOS2 P35228 12/20 0.65
KCNH2 Q12809 2/20 0.65
SLC6A2 P23975 1/20 0.65
NOS3 P29474 8/20 0.57
HTR1B P28222 2/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1F P30939 1/20 0.43
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
NPC1 O15118 1/20 0.37

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
SCHEMBL19379236 1.00 NOS1 (0.65) NOS1NOS2KCNH2SLC6A2NOS3
SCHEMBL2675490 0.92 NOS1 (0.65) NOS1NOS2KCNH2SLC6A2NOS3
SCHEMBL2674197 0.86 NOS1 (0.58) NOS1NOS2KCNH2SLC6A2NOS3
SCHEMBL14208338 0.85 HTR1A (0.52) NOS1NOS2KCNH2SLC6A2NOS3
SCHEMBL2674521 0.81 NOS1 (0.61) NOS1NOS2KCNH2SLC6A2NOS3
SCHEMBL2777995 0.78 NOS1 (0.62) NOS1NOS2KCNH2NOS3HTR1B
SCHEMBL12391669 0.78 NOS1 (0.54) NOS1NOS2KCNH2NOS3HTR1B
Hydrochloric Acid SCHEMBL2675849 0.77 NOS1 (0.62) NOS1NOS2KCNH2NOS3HTR1B
SCHEMBL2676021 0.76 NOS1 (0.63) NOS1NOS2KCNH2NOS3HTR1B
SCHEMBL2675450 0.75 NOS1 (0.48) NOS1NOS2KCNH2NOS3HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200331910-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors UNIV NORTHWESTERN (US) 2020-10-22 US disclosed
US-10759791-B2 Mammalian and bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2020-09-01 US disclosed
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-09-28 US 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 (3 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-20200331910-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS2 2/4885KCNH2 4547/4885
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS2 2/4885KCNH2 4547/4885
US-10759791-B2 Mammalian and bacterial nitric oxide synthase inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS2 2/4885KCNH2 4547/4885

“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.