SCHEMBL6494430

SCHEMBL6494430

CC(=O)CNCc1ccccc1N1CCC(N)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 2/20 0.42
MC4R P32245 6/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
F10 P00742 1/20 0.39
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
LIPG Q9Y5X9 2/20 0.38
USP2 O75604 1/20 0.38
PRKCA P17252 1/20 0.38
GSK3B P49841 1/20 0.38
PRKCQ Q04759 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
SETDB1 Q15047 1/20 0.36

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
SCHEMBL6503772 0.79 CKS1B (0.48) KMT2AF10PIM2
SCHEMBL6221717 0.75 F10 (0.48) MEN1KMT2AGAAMC4RF10
SCHEMBL5073799 0.74 MEN1 (0.41) MEN1KMT2AGAAMC4RKDM4E
SCHEMBL2558725 0.72 FABP3 (0.59) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL5073795 0.72 MEN1 (0.42) MEN1KMT2AGAAMC4RKDM4E
SCHEMBL16814966 0.71 GAA (0.51) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL6492610 0.71 KMT2A (0.37) MEN1KMT2AGAAMC4RUSP2
SCHEMBL27701838 0.69 NPC1 (0.45) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL8006206 0.69 CKS1B (0.52) KMT2AGAA
SCHEMBL7465114 0.68 NPC1 (0.51) MEN1KMT2AGAAMAPTUSP2

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-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 US claimed
US-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 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-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 MEN1 1315/4885KMT2A 179/4885GAA 2205/4885

“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.