SCHEMBL8340201

SCHEMBL8340201

CN1CCc2ccc(N3CCCNC3=O)cc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
THRB P10828 1/20 0.36
SLC6A2 P23975 11/20 0.36
SLC6A4 P31645 11/20 0.36
SLC6A3 Q01959 10/20 0.36
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
HTR6 P50406 1/20 0.34
PARP1 P09874 1/20 0.34
CREBBP Q92793 1/20 0.34
F10 P00742 1/20 0.34
AR P10275 1/20 0.33

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
SCHEMBL8339655 0.89 NOTUM (0.42) NOTUMHTR1AHTR1DHTR1BTHRB
SCHEMBL8340002 0.80 BRD9 (0.50) NOTUMSLC6A2SLC6A4F10
SCHEMBL26683782 0.79 CRBN (0.56) NOTUM
SCHEMBL30449971 0.74 CRBN (0.50) NOTUMPARP1CREBBP
SCHEMBL26684064 0.74 CRBN (0.50) NOTUMPARP1CREBBP
SCHEMBL8343019 0.73 SLC6A2 (0.48) NOTUMSLC6A2SLC6A4DRD2DRD3
SCHEMBL22144682 0.73 HTR6 (0.46) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL14491992 0.72 DDB1 (0.53) HTR1ATHRBSLC6A2SLC6A4SLC6A3
SCHEMBL8343020 0.71 F10 (0.41) NOTUMF10
SCHEMBL8286230 0.71 SMN1; SMN2 (0.54) THRBDRD2DRD3

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 NOTUM 486/4885HTR1A 2127/4885HTR1D 2087/4885

“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.