SCHEMBL2983157

SCHEMBL2983157

C=CCC(C(=O)OC)N(C)C(=O)C(C)(C)CCCC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 2/20 0.34
ZDHHC7 Q9NXF8 1/20 0.32
FAAH O00519 1/20 0.31
HPGD P15428 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
POLA1 P09884 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
MBOAT4 Q96T53 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2983155 1.00 CA1 (0.36) CA1CA2TSHRZDHHC7FAAH
SCHEMBL2968679 0.85 CA2 (0.32) CA2TSHRFAAH
SCHEMBL2968682 0.85 CA2 (0.32) CA2TSHRFAAH
SCHEMBL2985596 0.79 TSHR (0.43) CA1CA2TSHRZDHHC7FAAH
SCHEMBL2985593 0.79 TSHR (0.43) CA1CA2TSHRZDHHC7FAAH
SCHEMBL2979988 0.78 TSHR (0.42) CA1CA2TSHRZDHHC7FAAH
SCHEMBL2979987 0.78 TSHR (0.42) CA1CA2TSHRZDHHC7FAAH
SCHEMBL2981746 0.77 CA2 (0.53) CA1CA2TSHRZDHHC7HPGD
SCHEMBL2981748 0.77 CA2 (0.53) CA1CA2TSHRZDHHC7HPGD
SCHEMBL2981716 0.75 MEN1 (0.36) LMNANPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772221-B2 Diaminopropane derived macrocycles as inhibitors of β amyloid production BRISTOL-MEYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 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-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION APP, BACE1, BACE2 CA1 638/4885CA2 2962/4885TSHR 3180/4885

“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.