SCHEMBL1625992

SCHEMBL1625992

O=S(=O)(c1c[nH]cn1)C(C1CCCNC1)N1CCc2ccccc2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 7/20 0.35
WDR77 Q9BQA1 6/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
APAF1 O14727 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
HTR6 P50406 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
MCOLN2 Q8IZK6 1/20 0.30

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
SCHEMBL1626519 0.88 ALDH1A1 (0.34) PRMT5WDR77ALDH1A1MAPTHSD17B10
SCHEMBL14236989 0.83 MCOLN2 (0.41) PRMT5WDR77HPGDDPP8HTR6
Hydrochloric Acid SCHEMBL1626825 0.82 MCOLN2 (0.40) PRMT5WDR77ALDH1A1MAPTHSD17B10
SCHEMBL14237049 0.79 HTR6 (0.39) PRMT5ALDH1A1MAPTHPGDDPP8
SCHEMBL14237070 0.79 HTR6 (0.35) PRMT5WDR77MAPTDPP8HTR6
Hydrochloric Acid SCHEMBL1627665 0.78 HTR6 (0.39) PRMT5ALDH1A1MAPTHPGDDPP8
SCHEMBL14237095 0.78 TSHR (0.46) PRMT5ALDH1A1KDM4EHPGDDPP8
Hydrochloric Acid SCHEMBL5922603 0.78 HTR6 (0.35) PRMT5WDR77ALDH1A1MAPTHSD17B10
Hydrochloric Acid SCHEMBL1627703 0.78 TSHR (0.45) PRMT5ALDH1A1DPP8HTR6MEN1
SCHEMBL14236996 0.78 CHRNB2 (0.35) PRMT5WDR77DPP8HTR6MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831195-B1 5-HT7 RECEPTOR ANTAGONISTS ESTEVE LABOR DR (ES) 2012-12-19 EP claimed
EP-1831195-B1 5-HT7 RECEPTOR ANTAGONISTS ESTEVE LABOR DR (ES) 2012-12-19 EP disclosed
US-7928121-B2 2-[1-(5-Chloro-2,4-difluoro-benzenesulfonyl)-piperidin-4-ylmethyl]-1,2,3,4-tetrahydroisoquinolinehydrochloride; antidepressant, anxiolytic, hypotensive agent; psychosis, schizophrenia, migraine, cognition activity; pharmacokinetics LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-04-19 US disclosed
US-20080214603-A1 5-Ht7 Receptor Antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-09-04 US disclosed
US-7345057-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-18 US disclosed
US-20060142332-A1 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-06-29 US 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-20080214603-A1 5-Ht7 Receptor Antagonists HTR7, HTR1A, HTR5A PRMT5 1967/4885WDR77 3403/4885ALDH1A1 2903/4885
US-20060142332-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A PRMT5 2071/4885WDR77 3421/4885ALDH1A1 2742/4885

“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.