SCHEMBL5845448

SCHEMBL5845448

CNC1CCN(c2nc(C3(c4ccccc4F)CCCCC3)cs2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.38
HSD11B1 P28845 2/20 0.37
HSD11B2 P80365 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL5845442 0.83 BPTF (0.38) HSD11B1HSD11B2NPC1RAB9ASMN1; SMN2
SCHEMBL5845459 0.79 HSD11B1 (0.41) HSD11B1HSD11B2NPC1RAB9ASMN1; SMN2
SCHEMBL7565578 0.77 PDE10A (0.41) HSD11B1HSD11B2NPC1RAB9ASMN1; SMN2
SCHEMBL14113982 0.76 HSD11B1 (0.36) HSD11B1HSD11B2
SCHEMBL13698605 0.73 HSD11B1 (0.40) HSD11B1HSD11B2NPC1RAB9ASMN1; SMN2
SCHEMBL13698399 0.70 HSD11B1 (0.39) HSD11B1HSD11B2
SCHEMBL8279664 0.69 BACE1 (0.55) HSD11B1HSD11B2NPC1RAB9ASMN1; SMN2
SCHEMBL6774774 0.69 ACKR3 (0.41) HSD11B1HSD11B2HRH3NPC1RAB9A
SCHEMBL14113978 0.68 HSD11B1 (0.35) HSD11B1HSD11B2
SCHEMBL13988690 0.67 SIGMAR1 (0.34) HSD11B1HSD11B2

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 HRH4 68/4885HSD11B1 1340/4885HSD11B2 1062/4885
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 HRH4 68/4885HSD11B1 1340/4885HSD11B2 1062/4885

“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.