SCHEMBL5844682

SCHEMBL5844682

NC(=S)NC1CCN(Cc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 8/20 0.61
▸ BCHE P06276 7/20 0.61
▸ ACHE P22303 7/20 0.61
▸ DRD2 P14416 4/20 0.60
▸ DRD4 P21917 4/20 0.60
▸ KCNH2 Q12809 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ SIGMAR1 Q99720 1/20 0.55
▸ MCHR1 Q99705 1/20 0.54
▸ DPP7 Q9UHL4 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53

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
SCHEMBL3325622 0.91 ALDH1A1 (0.68) BACE1BCHEACHEDRD2DRD4
Bromide SCHEMBL8824061 0.90 ALDH1A1 (0.67) BACE1BCHEACHEDRD2DRD4
SCHEMBL27811320 0.86 DRD4 (0.67) BACE1BCHEACHEDRD2DRD4
SCHEMBL27811321 0.86 DRD4 (0.67) BACE1BCHEACHEDRD2DRD4
SCHEMBL10310300 0.86 BACE1 (0.61) BACE1BCHEACHEDRD2DRD4
SCHEMBL239528 0.84 DRD4 (0.71) BACE1BCHEACHEDRD2DRD4
SCHEMBL239527 0.84 DRD4 (0.71) BACE1BCHEACHEDRD2DRD4
SCHEMBL27780880 0.83 SIGMAR1 (0.67) ACHEDRD4KCNH2ALDH1A1MAPK1
SCHEMBL20183285 0.82 DRD4 (0.70) BACE1BCHEACHEDRD2DRD4
SCHEMBL19614234 0.82 DRD4 (0.70) BACE1BCHEACHEDRD2DRD4

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 BACE1 358/4885BCHE 1027/4885ACHE 94/4885
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 BACE1 358/4885BCHE 1027/4885ACHE 94/4885

“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.

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