SCHEMBL5845459

SCHEMBL5845459

Fc1ccccc1C1(c2csc(N3CCNCC3)n2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
HSD11B2 P80365 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
AR P10275 2/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHEK1 O14757 2/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
HTR6 P50406 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MLYCD O95822 1/20 0.34
BAZ2A Q9UIF9 1/20 0.33
TSHR P16473 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33

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
SCHEMBL5845448 0.79 HRH4 (0.38) HSD11B1HSD11B2SMN1; SMN2NPC1RAB9A
SCHEMBL5845442 0.78 BPTF (0.38) HSD11B1HSD11B2SMN1; SMN2ARTP53
SCHEMBL13698605 0.76 HSD11B1 (0.40) HSD11B1HSD11B2SMN1; SMN2NPC1RAB9A
SCHEMBL8279664 0.74 BACE1 (0.55) HSD11B1HSD11B2SMN1; SMN2TP53ALOX15
SCHEMBL13698399 0.72 HSD11B1 (0.39) HSD11B1HSD11B2
SCHEMBL1259386 0.70 SMN1; SMN2 (0.61) SMN1; SMN2ARTP53ALOX15HSD17B10
SCHEMBL8766211 0.68 HSD11B1 (0.53) HSD11B1HSD11B2
SCHEMBL14113978 0.66 HSD11B1 (0.35) HSD11B1HSD11B2
SCHEMBL3765936 0.66 AR (0.56) SMN1; SMN2ARTP53ALOX15HSD17B10
Hydrochloric Acid SCHEMBL3761310 0.65 AR (0.55) SMN1; SMN2ARTP53ALOX15HSD17B10

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 HSD11B1 1340/4885HSD11B2 1062/4885SMN1; SMN2 601/4885
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 HSD11B1 1340/4885HSD11B2 1062/4885SMN1; SMN2 601/4885

“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.