SCHEMBL1626643

SCHEMBL1626643

O=c1[nH]c2ccc(S(=O)(=O)N3CCC(CN4CCc5ccccc5C4)CC3)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HTT P42858 2/20 0.52
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FKBP5 Q13451 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 2/20 0.40
THRB P10828 1/20 0.40
USP2 O75604 1/20 0.40
HTR2C P28335 1/20 0.39

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
SCHEMBL12719787 0.90 HTT (0.46) LMNAMAPTMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL1626976 0.89 HTT (0.45) LMNAMAPTMEN1KMT2AHTT
SCHEMBL1626449 0.82 KMT2A (0.65) LMNAMAPTMEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL1627652 0.81 KMT2A (0.64) LMNAMAPTMEN1KMT2ATSHR
SCHEMBL12719663 0.79 ALDH1A1 (0.61) LMNAMAPTMEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL1625857 0.78 ALDH1A1 (0.60) LMNAMAPTMEN1KMT2ATSHR
SCHEMBL1628021 0.78 ALDH1A1 (0.55) LMNAMAPTMEN1KMT2AHTT
SCHEMBL12719766 0.78 MEN1 (0.48) LMNAMAPTMEN1KMT2AHTT
SCHEMBL12719687 0.77 MAPT (0.62) LMNAMAPTMEN1KMT2AHTT
SCHEMBL12719667 0.77 ALDH1A1 (0.50) LMNAMAPTMEN1KMT2ATSHR

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 12 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-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-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-20080214603-A1 5-Ht7 Receptor Antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-09-04 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-7345057-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-18 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 LMNA 2543/4885MAPT 1463/4885MEN1 1107/4885
US-20060142332-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A LMNA 2549/4885MAPT 1514/4885MEN1 1322/4885

“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.