SCHEMBL19871024

SCHEMBL19871024

C[C@H](C#N)CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
MAPT P10636 1/20 0.39
KCNN4 O15554 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CTSC P53634 2/20 0.35
GRIN2D O15399 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
OPRM1 P35372 2/20 0.35
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35
CACNA1F O60840 1/20 0.35
ABCB1 P08183 1/20 0.35
CYP2B6 P20813 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 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
SCHEMBL26293318 1.00 DPP4 (0.39) DPP4DPP8MAPTKCNN4CYP1A2
SCHEMBL19871025 0.82 CTSC (0.38) DPP4DPP8MAPTCYP1A2CYP2D6
SCHEMBL12038615 0.80 APAF1 (0.42) MAPTKCNN4CYP1A2CYP2D6GRIN2D
SCHEMBL26292979 0.80 APAF1 (0.42) MAPTKCNN4CYP1A2CYP2D6GRIN2D
SCHEMBL16743931 0.78 MAPT (0.41) MAPTKCNN4CYP1A2CYP2D6GRIN2D
SCHEMBL31037702 0.77 MAPT (0.40) DPP4DPP8MAPTKCNN4CYP1A2
SCHEMBL26294139 0.77 MAPT (0.43) MAPTKCNN4CYP1A2CYP2D6GRIN2D
SCHEMBL26294391 0.77 MAPT (0.40) MAPTKCNN4CYP1A2CYP2D6GRIN2D
SCHEMBL26294014 0.77 MAPT (0.43) MAPTKCNN4CYP1A2CYP2D6GRIN2D
SCHEMBL19871023 0.77 MAPT (0.40) MAPTKCNN4CYP1A2CYP2D6GRIN2D

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-20180044303-A1 1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE ONCOLOGY LIMITED (IN) 2018-02-15 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-20180044303-A1 1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS PDCD1, PDCD1LG2, CD274 DPP4 1989/4885DPP8 2206/4885MAPT 4206/4885

“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.