SCHEMBL7673100

SCHEMBL7673100

CCC1(c2cccc(OC(=O)C(F)(F)F)c2)CCCCN(CCN(C)C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
FNTA P49354 15/20 0.39
FNTB P49356 15/20 0.39
PGGT1B P53609 15/20 0.39
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
OPRD1 P41143 1/20 0.32

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
SCHEMBL7677600 0.89 ACHE (0.40) ACHEFNTAFNTBPGGT1BGRIN1
Trifluoroacetic Acid SCHEMBL7674226 0.89 OPRD1 (0.40) FNTAFNTBPGGT1BOPRD1
Trifluoroacetic Acid SCHEMBL7673095 0.84 ACHE (0.42) ACHEOPRD1
SCHEMBL7677229 0.75 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL7680592 0.74 FNTA (0.44) FNTAFNTBPGGT1B
SCHEMBL7677814 0.73 FNTA (0.42) FNTAFNTBPGGT1B
SCHEMBL13556115 0.72 FNTA (0.42) ACHEFNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL7677598 0.72 ACHE (0.43) ACHE
Hydrochloric Acid SCHEMBL7678603 0.72 FNTA (0.42) FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL7679053 0.72 FNTA (0.75) FNTAFNTBPGGT1B

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-20020037888-A1 4-imidazol-1-ylmethyl-2-(2-(2-oxo-piperidin-1-yl)-phenoxy) -benzonitrile for example; farnesyl-protein transferase inhibitors; treating cancer, benign proliferative disorder, hepatitis virus, restenosis, and polycystic kidney disease MERCK & CO., INC. 2002-03-28 US disclosed
US-6284755-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-09-04 US disclosed
WO-2000034437-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-06-15 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-20020037888-A1 4-imidazol-1-ylmethyl-2-(2-(2-oxo-piperidin-1-yl)-phenoxy) -benzonitrile for example; farnesyl-protein transferase inhibitors; treating cancer, benign proliferative disorder, hepatitis virus, restenosis, and polycystic kidney disease FNTA, PKD1, FNTB ACHE 4845/4885FNTA 1/4885FNTB 3/4885

“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.