SCHEMBL5844429

SCHEMBL5844429

CCN(CC)CCCNc1nc(C2(c3ccc(Cl)cc3)CCC2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.47
SLC2A1 P11166 1/20 0.39
TP53 P04637 1/20 0.38
FLT3 P36888 4/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
PIK3CA P42336 1/20 0.37
THRB P10828 1/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CCR4 P51679 1/20 0.36
TOP2A P11388 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
Citric Acid SCHEMBL5845379 0.88 CYP1A2 (0.38) BACE1SLC2A1TP53FLT3PDGFRB
SCHEMBL5845385 0.80 ALDH1A1 (0.42) SLC2A1TP53FLT3MAPTNPC1
SCHEMBL5845599 0.77 BACE1 (0.45) BACE1MAPTNPC1RAB9AMEN1
SCHEMBL5846112 0.77 BACE1 (0.49) BACE1MEN1ALDH1A1KMT2A
SCHEMBL5846203 0.74 BACE1 (0.46) BACE1PIK3CAMAPTMEN1ALDH1A1
SCHEMBL5844691 0.74 BACE1 (0.47) BACE1MAPTNPC1RAB9AMEN1
SCHEMBL5845190 0.74 BACE1 (0.44) BACE1TP53CHRM2CHRM1TSHR
SCHEMBL5846154 0.72 BACE1 (0.44) BACE1MAPTNPC1RAB9AMEN1
SCHEMBL5845392 0.71 BACE1 (0.46) BACE1TP53CHRM2CHRM1TSHR
SCHEMBL8280838 0.68 BACE1 (0.94) BACE1NPC1RAB9AALDH1A1HSD17B10

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 358/4885SLC2A1 918/4885TP53 2439/4885
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 358/4885SLC2A1 918/4885TP53 2439/4885

“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.