SCHEMBL1626449

SCHEMBL1626449

O=c1[nH]c2ccc(S(=O)(=O)N3CCC(CN4CCc5ccccc5C4)CC3)cc2o1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
MAPT P10636 2/20 0.65
LMNA P02545 1/20 0.65
TSHR P16473 1/20 0.57
ALPL P05186 1/20 0.56
CYP2C19 P33261 1/20 0.48
TP53 P04637 3/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NUDT15 Q9NV35 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GLRA3 O75311 1/20 0.42
GLRA1 P23415 1/20 0.42
GLRB P48167 1/20 0.42
GRIN1 Q05586 1/20 0.41

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
Hydrochloric Acid SCHEMBL1627652 0.99 KMT2A (0.64) KMT2AMEN1MAPTLMNATSHR
SCHEMBL12719801 0.90 KMT2A (0.55) KMT2AMEN1MAPTLMNATSHR
Hydrochloric Acid SCHEMBL1627336 0.89 KMT2A (0.54) KMT2AMEN1MAPTLMNATSHR
SCHEMBL1626643 0.82 LMNA (0.52) KMT2AMEN1MAPTLMNATSHR
SCHEMBL12719752 0.80 SMN1; SMN2 (0.69) KMT2AMEN1MAPTLMNATSHR
SCHEMBL12719721 0.80 SMN1; SMN2 (0.58) KMT2AMEN1LMNATSHRCYP2C19
Hydrochloric Acid SCHEMBL1628271 0.79 SMN1; SMN2 (0.57) KMT2AMEN1LMNATSHRCYP2C19
SCHEMBL12719663 0.78 ALDH1A1 (0.61) KMT2AMEN1MAPTLMNATSHR
Hydrochloric Acid SCHEMBL1625857 0.77 ALDH1A1 (0.60) KMT2AMEN1MAPTLMNATSHR
SCHEMBL12719766 0.77 MEN1 (0.48) KMT2AMEN1MAPTLMNATSHR

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 KMT2A 2422/4885MEN1 1107/4885MAPT 1463/4885
US-20060142332-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A KMT2A 2373/4885MEN1 1322/4885MAPT 1514/4885

“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.