SCHEMBL4850473

SCHEMBL4850473

O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC(CN2CCc3ccccc3C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CNR1 P21554 1/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.46
DRD2 P14416 2/20 0.45
HTR1A P08908 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45

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 SCHEMBL1627798 0.99 THRB (0.53) THRBL3MBTL1LMNAMAPTALDH1A1
SCHEMBL12719672 0.90 TSHR (0.54) THRBL3MBTL1LMNAMAPTALDH1A1
Hydrochloric Acid SCHEMBL1627096 0.89 TSHR (0.53) THRBL3MBTL1LMNAMAPTALDH1A1
SCHEMBL12719707 0.89 LMNA (0.51) THRBL3MBTL1LMNAMAPTALDH1A1
SCHEMBL12719661 0.89 LMNA (0.50) THRBL3MBTL1LMNAMAPTALDH1A1
Hydrochloric Acid SCHEMBL1625084 0.88 LMNA (0.50) THRBL3MBTL1LMNAMAPTALDH1A1
Hydrochloric Acid SCHEMBL1627543 0.87 LMNA (0.49) THRBL3MBTL1LMNAMAPTALDH1A1
SCHEMBL12719668 0.86 LMNA (0.56) THRBL3MBTL1LMNAMAPTALDH1A1
SCHEMBL12719831 0.86 CCR3 (0.48) THRBL3MBTL1LMNAALDH1A1TSHR
Hydrochloric Acid SCHEMBL1627609 0.85 LMNA (0.55) THRBL3MBTL1LMNAMAPTALDH1A1

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 11 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
US-7345057-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-18 US disclosed
EP-1676844-A1 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-05 EP 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 THRB 368/4885L3MBTL1 4521/4885LMNA 2543/4885
US-20060142332-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A THRB 377/4885L3MBTL1 4543/4885LMNA 2549/4885

“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.