SCHEMBL8342811

SCHEMBL8342811

CN1CCN(c2ccc3c(c2)CCN3C)C(=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
NOTUM Q6P988 1/20 0.40
DRD3 P35462 1/20 0.40
HTR6 P50406 1/20 0.40
MAPT P10636 4/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SRD5A1 P18405 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PTK2B Q14289 2/20 0.36
ADRA2C P18825 1/20 0.36
GFER P55789 1/20 0.36
ESR2 Q92731 1/20 0.36
WDR5 P61964 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
SCHEMBL8343019 0.89 SLC6A2 (0.48) SLC6A2SLC6A4NOTUMDRD3HTR6
SCHEMBL8340326 0.81 BRD9 (0.50) NOTUMMAPTGAAHPGDALDH1A1
SCHEMBL853431 0.75 MAPT (0.53) SLC6A2SLC6A4MAPTGAAHPGD
SCHEMBL26684176 0.74 CRBN (0.56) NOTUMMAPTGAAHPGDALDH1A1
SCHEMBL8339655 0.73 NOTUM (0.42) SLC6A2SLC6A4NOTUMMAPTGAA
SCHEMBL8340776 0.72 L3MBTL1 (0.56) SLC6A2SLC6A4DRD3HPGDKMT2A
SCHEMBL3214888 0.71 HPGD (0.49) SLC6A2SLC6A4GAAHPGDALDH1A1
SCHEMBL8339971 0.71 SLC6A2 (0.50) SLC6A2SLC6A4MAPTALDH1A1TP53
SCHEMBL8257459 0.71 HPGD (0.51) SLC6A2SLC6A4GAAHPGDALDH1A1
SCHEMBL3229829 0.70 HPGD (0.45) SLC6A2SLC6A4HPGDALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 US disclosed
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 US disclosed
WO-2004031145-A2 LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO 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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 SLC6A2 3035/4885SLC6A4 3061/4885NOTUM 486/4885

“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.