SCHEMBL13488375

SCHEMBL13488375

COC(=O)C1=C(NCc2ccc(-c3ccccc3)cc2)CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 8/20 0.63
▸ SLC6A3 Q01959 8/20 0.63
▸ SLC6A4 P31645 1/20 0.63
▸ CASP3 P42574 1/20 0.45
▸ FFAR1 O14842 3/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL8648768 0.89 CA1 (0.52) SLC6A2SLC6A3SLC6A4CASP3CA1
SCHEMBL13712221 0.81 MAPT (0.45) SLC6A3CASP3CA1CA2MEN1
SCHEMBL7978849 0.75 LMNA (0.48) FFAR1FFAR4HCAR2
SCHEMBL16810267 0.74 SLC6A3 (0.94) SLC6A2SLC6A3SLC6A4CHRM2CHRM4
SCHEMBL13488448 0.74 KMT2A (0.38) SLC6A2SLC6A3SLC6A4FFAR1MEN1
SCHEMBL10733709 0.73 PPARG (0.51) FFAR1CA1CA2FFAR4HCAR2
SCHEMBL13488443 0.72 FFAR1 (0.42) FFAR1CA1CA2MEN1KMT2A
SCHEMBL12986781 0.71 CASP3 (0.54) CASP3CA1CA2
SCHEMBL17158407 0.71 CA1 (0.80) FFAR1CA1CA2MEN1KMT2A
SCHEMBL20183802 0.71 CA1 (0.80) FFAR1CA1CA2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445481-B2 Scaffold-diversified pyrrolidinone derivatives and their use THE UNIVERSITY OF CHICAGO (US) 2013-05-21 — — US disclosed
US-8445481-B2 Scaffold-diversified pyrrolidinone derivatives and their use THE UNIVERSITY OF CHICAGO (US) 2013-05-21 — — US disclosed
US-20100035892-A1 METHOD FOR ASSEMBLING HIGH-PURITY CHEMICAL LIBRARIES, COMPOUNDS SUPPRESSING ACETYL COENZYME A CARBOXYLASE ACTIVITIES DISCOVERED BY SAME THE UNIVERSITY OF CHICAGO 2010-02-11 — — US disclosed
US-20100035892-A1 METHOD FOR ASSEMBLING HIGH-PURITY CHEMICAL LIBRARIES, COMPOUNDS SUPPRESSING ACETYL COENZYME A CARBOXYLASE ACTIVITIES DISCOVERED BY SAME THE UNIVERSITY OF CHICAGO 2010-02-11 — — US disclosed
WO-2008103382-A1 METHOD FOR ASSEMBLING HIGH-PURITY CHEMICAL LIBRARIES, COMPOUNDS SUPPRESSING ACETYL COENZYME A CARBOXYLASE ACTIVITIES DISCOVERED BY SAME KOZMIN SERGEY (US) 2008-08-28 — — 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-20100035892-A1 METHOD FOR ASSEMBLING HIGH-PURITY CHEMICAL LIBRARIES, COMPOUNDS SUPPRESSING ACETYL COENZYME A CARBOXYLASE ACTIVITIES DISCOVERED BY SAME ACACA, COASY, ACACB SLC6A2 4858/4885SLC6A3 4833/4885SLC6A4 4816/4885

“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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