SCHEMBL5845677

SCHEMBL5845677

CN(C(=O)OC(C)(C)C)C1CCN(C(N)=S)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.58
USP30 Q70CQ3 3/20 0.45
SPR P35270 5/20 0.42
KDM4D Q6B0I6 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
PDE10A Q9Y233 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
VNN1 O95497 1/20 0.35

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
SCHEMBL3296587 0.84 HSD11B1 (0.62) HSD11B1USP30SPRKDM4DPDE10A
SCHEMBL13738053 0.84 HSD11B1 (0.62) HSD11B1USP30SPRKDM4DPDE10A
SCHEMBL21285788 0.84 HSD11B1 (0.69) HSD11B1USP30SPRGPR119JAK2
SCHEMBL5242729 0.84 HSD11B1 (0.62) HSD11B1USP30SPRKDM4DPDE10A
SCHEMBL10223184 0.83 HSD11B1 (0.60) HSD11B1USP30SPRKDM4DPDE10A
SCHEMBL18701755 0.83 HSD11B1 (0.60) HSD11B1USP30SPRKDM4DPDE10A
SCHEMBL15721134 0.82 HSD11B1 (0.59) HSD11B1USP30SPRKDM4DPDE10A
SCHEMBL15721133 0.82 HSD11B1 (0.59) HSD11B1USP30SPRKDM4DPDE10A
SCHEMBL24676811 0.81 HSD11B1 (0.56) HSD11B1USP30SPRKDM4DPDE10A
SCHEMBL14521695 0.81 HSD11B1 (0.58) HSD11B1USP30SPRKDM4DPDE10A

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-7087623-B2 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2006-08-08 US disclosed
US-20040235913-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof CUNY GREGORY D (US) 2004-11-25 US disclosed
US-6699866-B2 FOR THERAPY OF ADDICTION, ANXIETY, DEPRESSION, SEXUAL DYSFUNCTION, HYPERTENSION, MIGRAINE, ALZHEIMER'S DISEASE, OBESITY, EMESIS, PSYCHOSIS, ANALGESIA, SCHIZOPHRENIA, PARKINSON'S DISEASE, RESTLESS LEG SYNDROME, SLEEPING DISORDERS SEPRACOR INC. 2004-03-02 US disclosed
US-20030105071-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof SEPRACOR INC. 2003-06-05 US disclosed
WO-2002083863-A2 THIAZOLE AND OTHER HETEROCYCLIC LIGANDS AND USE THEREOF SEPRACOR, INC. (US) 2002-10-24 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 (2 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-20040235913-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof HTR5A, OPRL1, HTR2C HSD11B1 1340/4885USP30 3225/4885SPR 1028/4885
US-20030105071-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof HTR5A, OPRL1, HTR2C HSD11B1 1340/4885USP30 3225/4885SPR 1028/4885

“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.