SCHEMBL7076396

SCHEMBL7076396

NC(=O)c1cc2c(N3CCC(Cc4ccccc4)CC3)cccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.60
GRIN3B O60391 4/20 0.60
GRIN1 Q05586 4/20 0.60
GRIN2A Q12879 4/20 0.60
GRIN2B Q13224 4/20 0.60
GRIN2C Q14957 4/20 0.60
GRIN3A Q8TCU5 4/20 0.60
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
GFER P55789 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR84 Q9NQS5 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL5377860 0.86 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7076688 0.82 DRD2 (0.57) MAPTGFERMEN1KMT2AGAA
SCHEMBL5378646 0.80 MEN1 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5204351 0.78 SLC6A2 (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7951116 0.77 HRH4 (0.55) KDM4EALDH1A1
SCHEMBL7078851 0.76 MEN1 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7134765 0.76 GRIN2B (0.53) GRIN2BMAPTHTTGFERSMN1; SMN2
SCHEMBL7158407 0.75 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6429862 0.72 GAA (0.60) MAPTHTTGFERSMN1; SMN2GAA
SCHEMBL5383885 0.72 GPR84 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. 2003-04-17 US disclosed
US-6130235-A PIPERIDINE MOIETIES COUPLED TO INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE. SCIOS INC. (US) 2000-10-10 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-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders RCOR1, NR3C2, CNR1 GRIN2D 2402/4885GRIN3B 1649/4885GRIN1 1242/4885

“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.