SCHEMBL8340002

SCHEMBL8340002

CN1CCc2ccc(N3CCCCC3=O)cc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.50
TP53 P04637 4/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 4/20 0.42
F10 P00742 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NOTUM Q6P988 1/20 0.41
AKR1C3 P42330 2/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 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
SCHEMBL8340326 0.88 BRD9 (0.50) BRD9TP53HPGDALDH1A1F10
SCHEMBL8343019 0.81 SLC6A2 (0.48) HPGDALDH1A1F10NOTUMKMT2A
SCHEMBL8340201 0.80 NOTUM (0.42) F10NOTUMSLC6A2SLC6A4
SCHEMBL8343020 0.79 F10 (0.41) ALDH1A1F10NOTUMKMT2AKDM4E
SCHEMBL26683782 0.75 CRBN (0.56) HPGDALDH1A1NOTUMKDM4E
SCHEMBL12359612 0.75 CHRM4 (0.47) BRD9HPGDALDH1A1F10CYP1A2
SCHEMBL8257459 0.75 HPGD (0.51) BRD9HPGDALDH1A1CYP1A2CYP3A4
SCHEMBL2001413 0.74 CHRM4 (0.46) BRD9HPGDALDH1A1F10CYP1A2
SCHEMBL25669158 0.73 BRD9 (0.59) BRD9TP53HPGDALDH1A1CYP1A2
SCHEMBL11114523 0.73 ALDH1A1 (0.54) BRD9TP53HPGDALDH1A1CYP1A2

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 BRD9 3673/4885TP53 3513/4885HPGD 2687/4885

“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.