SCHEMBL5846778

SCHEMBL5846778

O=C(O)CCCCc1cccc(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
F13A1 P00488 3/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
FAAH O00519 1/20 0.47
PNMT P11086 1/20 0.46
TBXAS1 P24557 1/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.43
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL1694578 0.95 TAAR1 (0.52) TAAR1MAPTRXFP1FAAHPNMT
SCHEMBL4699564 0.87 TAAR1 (0.55) TAAR1PNMTCTSGCMA1TSHR
SCHEMBL8161359 0.86 FAAH (0.50) TAAR1FAAHPNMTCTSGCMA1
SCHEMBL18112923 0.86 MAPT (0.56) TAAR1F13A1MAPTRXFP1TBXAS1
SCHEMBL8646452 0.85 F13A1 (0.47) F13A1MAPTRXFP1TBXAS1MEN1
SCHEMBL27438258 0.84 MAPT (0.59) F13A1MAPTRXFP1HDAC3MAPK1
SCHEMBL27413118 0.84 MAPT (0.59) F13A1MAPTRXFP1HDAC3MAPK1
SCHEMBL27411659 0.84 MAPT (0.59) F13A1MAPTRXFP1HDAC3MAPK1
SCHEMBL27437588 0.84 MAPT (0.59) F13A1MAPTRXFP1HDAC3MAPK1
SCHEMBL27455357 0.82 TAAR1 (0.53) TAAR1FAAHPNMTCTSGCMA1

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-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
WO-2005023799-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-03-17 WO disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 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-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 TAAR1 3800/4885F13A1 3738/4885MAPT 2386/4885

“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.