SCHEMBL5570724

SCHEMBL5570724

NC(=O)CNC(=O)c1ccc(C2(CN3CCCC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 5/20 0.50
▸ F2 P00734 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL5569992 0.89 CD274 (0.46) F10F2ALDH1A1SLC6A2SLC6A4
SCHEMBL5566762 0.88 F10 (0.47) F10F2ALDH1A1NPSR1CYP1A2
SCHEMBL5570726 0.85 F10 (0.50) F10F2ALDH1A1NPSR1CYP1A2
SCHEMBL5567235 0.84 F10 (0.48) F10F2ALDH1A1NPSR1CYP1A2
SCHEMBL5569367 0.83 F10 (0.47) F10F2ALDH1A1NPSR1POLB
SCHEMBL5569370 0.82 F10 (0.48) F10F2ALDH1A1NPSR1CYP1A2
SCHEMBL5567238 0.81 F10 (0.48) F10F2ALDH1A1NPSR1CYP1A2
SCHEMBL5566765 0.81 F10 (0.50) F10F2ALDH1A1NPSR1CYP1A2
SCHEMBL5669697 0.81 ALDH1A1 (0.62) F10F2ALDH1A1NPSR1CYP1A2
SCHEMBL5570741 0.79 F10 (0.48) F10F2NPSR1POLBSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250415-B2 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and tetrahydropyrimidinyl-containing diaminoalkyl, β-aminoacids, α-aminoacids and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-31 — — US claimed
US-20040266761-A1 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and Tetrahydropyrimidinyl-containing diaminoalkyl, beta-aminoacids, alpha-aminoacids and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-12-30 — — US claimed
US-7250415-B2 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and tetrahydropyrimidinyl-containing diaminoalkyl, β-aminoacids, α-aminoacids and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-31 — — US disclosed
EP-1628668-A2 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITO RS Bristol-Myers Squibb Company (US) 2006-03-01 — — EP disclosed
US-20040266761-A1 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and Tetrahydropyrimidinyl-containing diaminoalkyl, beta-aminoacids, alpha-aminoacids and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-12-30 — — US disclosed
WO-2004108892-A2 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, β-AMINOACIDS, α-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-16 — — 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-20040266761-A1 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and Tetrahydropyrimidinyl-containing diaminoalkyl, beta-aminoacids, alpha-aminoacids and derivatives thereof as factor Xa inhibitors PEPD, F11, TPSAB1 F10 46/4885F2 17/4885ALDH1A1 1821/4885

“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.

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