SCHEMBL5845404

SCHEMBL5845404

O=C(CCl)C1(c2ccccc2F)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.47
ALDH1A1 P00352 4/20 0.38
LMNA P02545 4/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ELOVL1 Q9BW60 1/20 0.36
DPP4 P27487 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
OPRL1 P41146 1/20 0.35
FKBP1A P62942 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR1 P21554 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
SCHEMBL5845612 0.88 HDAC4 (0.59) HDAC4ALDH1A1LMNAGAATSHR
SCHEMBL5844360 0.86 HDAC4 (0.58) HDAC4ALDH1A1LMNAGAATSHR
SCHEMBL1627778 0.81 HDAC4 (0.51) HDAC4ALDH1A1LMNATSHRNPSR1
SCHEMBL1626870 0.77 HDAC4 (0.50) HDAC4ALDH1A1LMNAGAATSHR
SCHEMBL27884591 0.73 HDAC4 (0.53) HDAC4ALDH1A1LMNAGAAELOVL1
SCHEMBL1627219 0.72 NPSR1 (0.42) HDAC4ALDH1A1LMNAGAATSHR
SCHEMBL4445381 0.71 HDAC4 (0.54) HDAC4LMNA
SCHEMBL5845417 0.71 ALDH1A1 (0.51) HDAC4ALDH1A1LMNA
SCHEMBL20241935 0.71 HDAC4 (0.57) HDAC4ALDH1A1ELOVL1MAPTTHRB
SCHEMBL18021960 0.71 OPRM1 (0.51) HDAC4ALDH1A1OPRL1

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 HDAC4 3670/4885ALDH1A1 755/4885LMNA 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 HDAC4 3670/4885ALDH1A1 755/4885LMNA 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.