SCHEMBL12719787

SCHEMBL12719787

O=c1[nH]c2ccc(S(=O)(=O)N3CCCC(CN4CCc5ccccc5C4)C3)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
FKBP5 Q13451 2/20 0.41
CYP19A1 P11511 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD11B1 P28845 2/20 0.40
GAA P10253 1/20 0.39
PRMT5 O14744 3/20 0.38
WDR77 Q9BQA1 3/20 0.38
POLB P06746 1/20 0.37

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 SCHEMBL1626976 0.99 HTT (0.45) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL1626643 0.90 LMNA (0.52) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL12719801 0.83 KMT2A (0.55) HTTLMNASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL1627336 0.83 KMT2A (0.54) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL12719674 0.81 MEN1 (0.54) HTTLMNASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL1626826 0.80 MEN1 (0.53) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL1628501 0.80 ALDH1A1 (0.48) HTTLMNASMN1; SMN2TP53MAPT
SCHEMBL12719791 0.80 GAA (0.44) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL12719677 0.79 ALDH1A1 (0.48) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL4811886 0.79 KDM4E (0.58) HTTLMNASMN1; SMN2MEN1KMT2A

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 8 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HTT 201/4885LMNA 2543/4885SMN1; SMN2 970/4885

“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.