SCHEMBL5845663

SCHEMBL5845663

CN1CCCC1CCNc1nc(C2(c3ccc(Cl)cc3)CCC2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.44
CAMK2D Q13557 1/20 0.40
ACP1 P24666 1/20 0.40
HRH1 P35367 3/20 0.39
HRH3 Q9Y5N1 3/20 0.39
HRH2 P25021 2/20 0.39
ADRA1A P35348 2/20 0.39
KCNH2 Q12809 2/20 0.39
SLC22A1 O15245 1/20 0.39
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
TP53 P04637 1/20 0.39
ADRB2 P07550 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
ADRB1 P08588 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39

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 0.77 BACE1 (0.44) CAMK2DACP1HRH1HRH3HRH2
SCHEMBL5845392 0.74 BACE1 (0.46) CAMK2DACP1HRH1HRH3HRH2
SCHEMBL21116046 0.74 ALOX5AP (0.49) ALOX5APHSD11B1
SCHEMBL5845604 0.72 BACE1 (0.39) CAMK2DACP1HRH1HRH3HRH2
SCHEMBL11182942 0.68 CAMK2D (0.49) CAMK2DACP1HRH1HRH3HRH2
SCHEMBL5844634 0.67 ALOX5AP (0.55) ALOX5APDCAF15HSD11B1
SCHEMBL16629560 0.67 KMT2A (0.47) ALOX5APHSD11B1
SCHEMBL4747652 0.66 KMT2A (0.52) ALOX5APHTR1ADRD2HTR2ADRD3
SCHEMBL4574917 0.66 KMT2A (0.46) ALOX5AP
SCHEMBL18014695 0.64 KMT2A (0.45) ALOX5APHSD11B1

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 ALOX5AP 2041/4885CAMK2D 3149/4885ACP1 4437/4885
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 ALOX5AP 2041/4885CAMK2D 3149/4885ACP1 4437/4885

“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.