SCHEMBL26313488

SCHEMBL26313488

CCCNCC[C@@H](Oc1nc(C)ccc1C#N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.46
SLC6A2 P23975 17/20 0.46
CYP2D6 P10635 14/20 0.46
NOS2 P35228 12/20 0.46
KCNH2 Q12809 4/20 0.46
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CHRM1 P11229 2/20 0.38
TSHR P16473 2/20 0.38
ADRA2B P18089 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HRH1 P35367 2/20 0.38
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 0.38
OPRK1 P41145 2/20 0.38
HTR2B P41595 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KLF10 Q13118 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38

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
SCHEMBL26313505 0.93 SLC6A4 (0.44) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL26313493 0.92 SLC6A4 (0.50) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL25413663 0.90 SLC6A2 (0.45) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL25413660 0.90 SLC6A2 (0.45) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL26313486 0.89 NOS2 (0.46) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL26316123 0.89 SLC6A4 (0.46) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL25413459 0.88 SLC6A4 (0.58) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL25413462 0.88 SLC6A4 (0.58) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL30597420 0.88 SLC6A4 (0.43) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL25413959 0.88 SLC6A4 (0.43) SLC6A4SLC6A2CYP2D6NOS2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF Gacter Inc. (US) 2023-09-14 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 (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-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF NOS1, NOS3, NOS2 SLC6A4 841/4885SLC6A2 1484/4885CYP2D6 360/4885

“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.