SCHEMBL5847274

SCHEMBL5847274

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
NOTUM Q6P988 1/20 0.44
LMNA P02545 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PRKCG P05129 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCD Q05655 1/20 0.42
TSHR P16473 1/20 0.42
MMP2 P08253 1/20 0.42
ANPEP P15144 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 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
SCHEMBL5847276 1.00 DRD2 (0.48) DRD2DRD4NOTUMLMNAMTNR1A
SCHEMBL5847272 1.00 DRD2 (0.48) DRD2DRD4NOTUMLMNAMTNR1A
SCHEMBL17559114 0.84 MTNR1A (0.54) NOTUMLMNAMTNR1AMTNR1BTSHR
SCHEMBL23343522 0.83 NR1D1 (0.50) NOTUM
SCHEMBL4959583 0.83 NR1D1 (0.50) NOTUM
SCHEMBL3365538 0.83 NOTUM (0.49) NOTUM
SCHEMBL12878830 0.83 DRD2 (0.47) DRD2DRD4NOTUMLMNATSHR
SCHEMBL8208215 0.83 DRD2 (0.50) DRD2DRD4NOTUMLMNATSHR
Hydrochloric Acid SCHEMBL8691613 0.82 XIAP (0.38) NOTUMMTNR1AMTNR1BPRKCGPRKCA
Hydrochloric Acid SCHEMBL8690716 0.82 XIAP (0.38) NOTUMMTNR1AMTNR1BPRKCGPRKCA

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 DRD2 1588/4885DRD4 2188/4885NOTUM 407/4885

“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.