SCHEMBL5849585

SCHEMBL5849585

CCOC(=O)[C@@H]1CCc2ccccc2N1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.53
SMYD3 Q9H7B4 1/20 0.49
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 2/20 0.44
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR1A P08908 4/20 0.42
HTR2A P28223 4/20 0.42
DRD3 P35462 4/20 0.42
HTR2C P28335 2/20 0.41
DRD2 P14416 1/20 0.41
MASP2 O00187 1/20 0.41
F2 P00734 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
SCHEMBL428189 1.00 MTNR1A (0.53) MTNR1ASMYD3MAPTGAAKDM4E
SCHEMBL30358033 1.00 MTNR1A (0.53) MTNR1ASMYD3MAPTGAAKDM4E
Hydrochloric Acid SCHEMBL6531864 0.99 MTNR1A (0.52) MTNR1ASMYD3MAPTGAAKDM4E
Hydrochloric Acid SCHEMBL5849580 0.99 MTNR1A (0.52) MTNR1ASMYD3MAPTGAAKDM4E
Hydrochloric Acid SCHEMBL5849581 0.99 MTNR1A (0.52) MTNR1ASMYD3MAPTGAAKDM4E
SCHEMBL30357968 0.89 MTNR1A (0.51) MTNR1ASMYD3MAPTGAAALDH1A1
SCHEMBL30358016 0.87 MTNR1A (0.49) MTNR1ASMYD3MAPTGAAKDM4E
SCHEMBL10334541 0.85 GAA (0.59) MTNR1AMAPTGAAKDM4EBRD4
SCHEMBL3182006 0.85 GAA (0.59) MTNR1AMAPTGAAKDM4EBRD4
SCHEMBL30213277 0.85 GAA (0.59) MTNR1AMAPTGAAKDM4EBRD4

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 MTNR1A 3015/4885SMYD3 2731/4885MAPT 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.