SCHEMBL5846154

SCHEMBL5846154

CCN1CCCC1CNc1nc(C2(c3ccc(Cl)cc3)CCC2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
TSHR P16473 1/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ACHE P22303 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
DRD2 P14416 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
PIM1 P11309 1/20 0.36
SMAD3 P84022 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL5845190 0.81 BACE1 (0.44) BACE1TSHRDRD2SIGMAR1
SCHEMBL5845392 0.78 BACE1 (0.46) BACE1TSHRDRD2SIGMAR1
SCHEMBL5845604 0.74 BACE1 (0.39) BACE1TSHRDRD2SIGMAR1NPC1
SCHEMBL5846112 0.74 BACE1 (0.49) BACE1ALDH1A1ACHEPOLBSIGMAR1
SCHEMBL5844429 0.72 BACE1 (0.47) BACE1TSHRLMNAALDH1A1HSD17B10
SCHEMBL5846203 0.71 BACE1 (0.46) BACE1TSHRLMNAALDH1A1HSD17B10
SCHEMBL5845599 0.70 BACE1 (0.45) BACE1LMNAALDH1A1HSD17B10KDM4E
SCHEMBL5844691 0.67 BACE1 (0.47) BACE1LMNAALDH1A1HSD17B10KDM4E
SCHEMBL5845387 0.67 BACE1 (0.48) BACE1TSHRDRD2SIGMAR1
SCHEMBL8280838 0.65 BACE1 (0.94) BACE1ALDH1A1HSD17B10MAPK1NPC1

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 358/4885TSHR 117/4885LMNA 3823/4885
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 358/4885TSHR 117/4885LMNA 3823/4885

“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.