SCHEMBL10035534

SCHEMBL10035534

O=C(N1CCc2ccc(S(=O)(=O)NCCCN3CCc4ccccc4C3)cc2C1)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.63
HTR6 P50406 2/20 0.54
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
TP53 P04637 1/20 0.49
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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 SCHEMBL2138390 0.99 HTR7 (0.62) HTR7HTR6LMNAHTTSMN1; SMN2
SCHEMBL8980468 0.97 HTR7 (0.64) HTR7HTR6LMNAHTTSMN1; SMN2
SCHEMBL8980457 0.96 HTR7 (0.63) HTR7HTR6LMNAHTTSMN1; SMN2
SCHEMBL8982262 0.86 HTR7 (0.51) HTR7HTR6ESR1ESR2PKM
SCHEMBL8982418 0.86 ESR1 (0.52) HTR7ALDH1A1ESR1ESR2
SCHEMBL10035537 0.79 HTR7 (0.73) HTR7HTR6
Hydrochloric Acid SCHEMBL2138856 0.79 HTR7 (0.72) HTR7HTR6
SCHEMBL10035548 0.78 HTR7 (1.00) HTR7HTR6
SCHEMBL2977564 0.78 DRD2 (0.44) HTR7HTR6LMNAHTTSMN1; SMN2
SCHEMBL10035542 0.78 HTR7 (0.82) HTR7HTR6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148397-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-04-03 US disclosed
US-8148397-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-04-03 US disclosed
US-20090088450-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-04-02 US disclosed
US-20090088450-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-04-02 US disclosed
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 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-20090088450-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A HTR7 1/4885HTR6 7/4885LMNA 2513/4885

“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.