SCHEMBL1629614

SCHEMBL1629614

Cc1cc(S(=O)(=O)C(C2CCCNC2)N2CCc3ccccc3C2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HTR6 P50406 2/20 0.39
TSHR P16473 4/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 2/20 0.34
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL14237015 0.89 MAPT (0.41) MEN1KMT2AHTR6LMNAHTT
SCHEMBL14237108 0.89 MEN1 (0.53) MEN1KMT2ATSHRLMNAHTT
Hydrochloric Acid SCHEMBL1627340 0.88 MAPT (0.40) MEN1KMT2AHTR6LMNAHTT
Hydrochloric Acid SCHEMBL1625987 0.88 MEN1 (0.53) MEN1KMT2ATSHRLMNAHTT
SCHEMBL14237117 0.86 HTR6 (0.40) MEN1KMT2AHTR6LMNAMAPT
SCHEMBL14236989 0.84 MCOLN2 (0.41) MEN1KMT2AHTR6LMNA
SCHEMBL14237009 0.84 HTR6 (0.37) MEN1KMT2AHTR6LMNAMAPT
Hydrochloric Acid SCHEMBL1626825 0.83 MCOLN2 (0.40) MEN1KMT2AHTR6TSHRLMNA
Hydrochloric Acid SCHEMBL1626589 0.83 HTR6 (0.36) MEN1KMT2AHTR6LMNAMAPT
Hydrochloric Acid SCHEMBL1626777 0.81 GAA (0.38) MEN1KMT2AHTR6TSHRHTT

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 7 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
US-8822233-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates GIRI BRIJ PAL (US) 2014-09-02 US disclosed
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 MEN1 1107/4885KMT2A 2422/4885HTR6 7/4885
US-20060142332-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A MEN1 1322/4885KMT2A 2373/4885HTR6 7/4885

“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.