SCHEMBL2497469

SCHEMBL2497469

C[C@@H](C(=O)N(C)C)N(Cc1ccccn1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 1/20 0.43
PTPRA P18433 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KCNA5 P22460 1/20 0.42
CA2 P00918 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LIN28A Q9H9Z2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MLYCD O95822 1/20 0.41
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL6573455 0.87 PTPRA (0.50) FNTAFNTBCYP1A2CYP3A4PTPRA
SCHEMBL2493250 0.81 KMT2A (0.56) L3MBTL1KMT2ATSHRALDH1A1MEN1
SCHEMBL15855790 0.81 KMT2A (0.56) L3MBTL1KMT2ATSHRALDH1A1MEN1
SCHEMBL14004817 0.78 FNTA (0.53) FNTAFNTBCYP1A2PTPRAKCNA5
SCHEMBL6204342 0.76 KDM4E (0.52) CYP1A2CYP3A4PTPRAL3MBTL1KCNA5
SCHEMBL24316287 0.75 CYP1A2 (0.52) CYP1A2PTPRAKCNA5CA2MAPT
SCHEMBL1065198 0.75 PTPRA (0.53) FNTAFNTBCYP1A2CYP3A4PTPRA
SCHEMBL16899931 0.73 CYP1A2 (0.54) FNTAFNTBCYP1A2PTPRAL3MBTL1
SCHEMBL28923770 0.72 L3MBTL1 (0.60) CYP1A2CYP3A4PTPRAL3MBTL1KCNA5
SCHEMBL2499727 0.71 ALDH1A1 (0.52) CYP1A2L3MBTL1MAPTSMN1; SMN2KDM4E

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-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 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-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 FNTA 4314/4885FNTB 4036/4885CYP1A2 804/4885

“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.