SCHEMBL29495158

SCHEMBL29495158

Cc1nc(-n2ccnc2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
GRIA1 P42261 5/20 0.43
GRIA2 P42262 5/20 0.43
GRIA3 P42263 5/20 0.43
GRIA4 P48058 5/20 0.43
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
GRIK3 Q13003 1/20 0.43
GRIK4 Q16099 1/20 0.43
GRIK5 Q16478 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL29495255 0.82 GRIA1 (0.43) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL14543031 0.82 GRIA1 (0.43) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL29990313 0.82 MAPT (0.41) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL14653963 0.77 KDM4E (0.37) MAPTCYP3A4TDP1ALDH1A1KDM4E
SCHEMBL27402973 0.76 CYP3A4 (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7979916 0.73 GRIK1 (0.56) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL1839319 0.73 HPGD (0.51) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL1128949 0.73 KDM4E (0.44) MAPTTDP1ALDH1A1KDM4E
SCHEMBL8191290 0.73 LMNA (0.43) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL29495215 0.73 CYP3A4 (0.46) MAPTCYP1A2CYP3A4CYP2D6CYP2C19

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-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INT (DE) 2026-03-19 US disclosed
CN-119431323-A Heterobicyclic amides as CD38 inhibitors 贝林格尔·英格海姆国际有限公司 2025-02-14 CN disclosed
CN-114423753-B Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2024-09-17 CN disclosed
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 CN 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-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, CD22, CD79B MAPT 4832/4885GRIA1 1294/4885GRIA2 1458/4885

“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.