SCHEMBL26313489

SCHEMBL26313489

CCC[C@@H](Oc1ncccc1C#N)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.49
SLC6A4 P31645 12/20 0.47
HPGD P15428 5/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP2D6 P10635 11/20 0.40
NOS2 P35228 10/20 0.40
KCNH2 Q12809 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL26313495 0.88 SLC6A2 (0.55) SLC6A2SLC6A4HPGDALDH1A1CYP2D6
SCHEMBL26316127 0.87 SLC6A2 (0.58) SLC6A2SLC6A4HPGDALDH1A1CYP2D6
SCHEMBL25413031 0.87 SLC6A2 (0.43) SLC6A2SLC6A4HPGDALDH1A1CYP2D6
SCHEMBL25413033 0.87 SLC6A2 (0.43) SLC6A2SLC6A4HPGDALDH1A1CYP2D6
SCHEMBL30597276 0.87 SLC6A2 (0.43) SLC6A2SLC6A4HPGDALDH1A1CYP2D6
SCHEMBL26313491 0.87 SLC6A2 (0.65) SLC6A2SLC6A4HPGDALDH1A1CYP2D6
SCHEMBL25412471 0.86 SLC6A4 (0.62) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL25412474 0.86 SLC6A4 (0.62) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL26316185 0.81 SLC6A2 (0.53) SLC6A2SLC6A4HPGDALDH1A1CYP2D6
SCHEMBL26313486 0.81 NOS2 (0.46) SLC6A2SLC6A4CYP2D6NOS2KCNH2

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 SLC6A2 1484/4885SLC6A4 841/4885HPGD 99/4885

“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.