SCHEMBL3527196

SCHEMBL3527196

CC(NC(=O)CC1CCCC1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.60
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CNR1 P21554 16/20 0.54
CNR2 P34972 10/20 0.54

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
SCHEMBL13804830 1.00 FDFT1 (0.60) FDFT1NPC1RAB9ACNR1CNR2
SCHEMBL13804814 0.95 FDFT1 (0.62) FDFT1NPC1RAB9ACNR1CNR2
SCHEMBL3525023 0.95 FDFT1 (0.62) FDFT1NPC1RAB9ACNR1CNR2
SCHEMBL3527929 0.81 FDFT1 (0.73) FDFT1CNR1CNR2
SCHEMBL13804833 0.81 FDFT1 (0.73) FDFT1CNR1CNR2
SCHEMBL6738171 0.81 FDFT1 (0.66) FDFT1CNR1CNR2
SCHEMBL13804850 0.80 CNR1 (0.65) FDFT1CNR1CNR2
SCHEMBL3527893 0.80 CNR1 (0.65) FDFT1CNR1CNR2
SCHEMBL5262269 0.78 CNR1 (0.63) FDFT1RAB9ACNR1CNR2
SCHEMBL14064682 0.78 CNR1 (0.48) FDFT1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US claimed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US claimed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-7550489-B2 Substituted pyridyoxy amides MERCK & CO., INC. (US) 2009-06-23 US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 US disclosed
US-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 US disclosed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 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 (4 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-20080171692-A1 Substituted amides CNR1, CNR2, FAAH FDFT1 2654/4885NPC1 337/4885RAB9A 1073/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG FDFT1 3461/4885NPC1 279/4885RAB9A 915/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH FDFT1 2654/4885NPC1 337/4885RAB9A 1073/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH FDFT1 2654/4885NPC1 337/4885RAB9A 1073/4885

“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.