SCHEMBL5847721

SCHEMBL5847721

COC(=O)[C@H]1Cc2ccccc2N1C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.60
DRD2 P14416 2/20 0.55
DRD4 P21917 2/20 0.55
TP53 P04637 1/20 0.48
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL29859758 1.00 NOTUM (0.60) NOTUMDRD2DRD4TP53LMNA
SCHEMBL2827512 1.00 NOTUM (0.60) NOTUMDRD2DRD4TP53LMNA
SCHEMBL2827516 1.00 NOTUM (0.60) NOTUMDRD2DRD4TP53LMNA
SCHEMBL17442799 0.88 DRD2 (0.55) NOTUMDRD2DRD4LMNA
SCHEMBL2824164 0.84 NOTUM (0.56) NOTUMDRD2DRD4TP53ALDH1A1
SCHEMBL2824161 0.84 NOTUM (0.56) NOTUMDRD2DRD4TP53ALDH1A1
SCHEMBL16350248 0.84 NOTUM (0.68) NOTUMTP53
SCHEMBL4707127 0.84 NOTUM (0.68) NOTUMTP53
SCHEMBL2827018 0.83 DRD2 (0.51) NOTUMDRD2DRD4LMNA
SCHEMBL29442998 0.83 DRD2 (0.51) NOTUMDRD2DRD4LMNA

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-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US 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 NOTUM 407/4885DRD2 1588/4885DRD4 2188/4885

“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.