SCHEMBL5846444

SCHEMBL5846444

O=C(CCl)C1(c2cccc(Cl)c2)CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.45
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGDR Q13258 1/20 0.39
HSD11B1 P28845 1/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
P2RX7 Q99572 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FKBP1A P62942 1/20 0.39
CCR2 P41597 1/20 0.39
AKR1C3 P42330 1/20 0.38
POLB P06746 1/20 0.38
EP300 Q09472 1/20 0.37
CREBBP Q92793 1/20 0.37

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
SCHEMBL1627025 0.84 MEN1 (0.50) ICMTGAAMAPTSMN1; SMN2PTGDR
SCHEMBL5845417 0.82 ALDH1A1 (0.51) HSD11B1P2RX7ALDH1A1LMNAPOLB
SCHEMBL4446356 0.77 SLC6A4 (0.44) HSD11B1SLC6A4SLC6A3CCR2EP300
SCHEMBL1627624 0.75 NPSR1 (0.43) ICMTGAAMAPTSMN1; SMN2ALOX5
SCHEMBL7369535 0.74 SLC6A4 (0.44) HSD11B1SLC6A4SLC6A3CCR2EP300
SCHEMBL28618128 0.73 CCR2 (0.47) MAPTHSD11B1SLC6A4SLC6A3ALDH1A1
SCHEMBL301985 0.72 MEN1 (0.56) MAPTHSD11B1SLC6A4SLC6A3ALDH1A1
SCHEMBL4833194 0.72 HSD11B1 (0.47) MAPTHSD11B1SLC6A4SLC6A3ALDH1A1
SCHEMBL4435171 0.71 AKR1C1 (0.52) SMN1; SMN2HSD11B1SLC6A4ALDH1A1LMNA
SCHEMBL12104066 0.70 OPRM1 (0.47) SLC6A4SLC6A3CCR2SLC6A2

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 ICMT 1311/4885GAA 1052/4885MAPT 482/4885
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 ICMT 1311/4885GAA 1052/4885MAPT 482/4885

“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.