SCHEMBL8983239

SCHEMBL8983239

O=S(=O)(NCCCCN1CCc2ccccc2C1)c1ccc(Cl)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.74
FABP4 P15090 1/20 0.55
HTR6 P50406 2/20 0.54
IKBKB O14920 1/20 0.52
CYP1A2 P05177 4/20 0.49
CYP3A4 P08684 4/20 0.49
CYP2C19 P33261 4/20 0.49
CYP2C9 P11712 3/20 0.49
MAPK1 P28482 3/20 0.49
TP53 P04637 3/20 0.49
CYP2D6 P10635 2/20 0.49
THPO P40225 2/20 0.49
NFKB1 P19838 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL10035592 0.97 HTR7 (0.69) HTR7FABP4HTR6IKBKBCYP1A2
Hydrochloric Acid SCHEMBL5414129 0.96 HTR7 (0.67) HTR7FABP4HTR6IKBKBCYP3A4
SCHEMBL8981835 0.88 HTR7 (0.67) HTR7HTR6KMT2A
Hydrochloric Acid SCHEMBL4220354 0.87 HTR7 (0.65) HTR7HTR6MEN1KMT2A
SCHEMBL8983277 0.87 HTR7 (0.74) HTR7FABP4HTR6
SCHEMBL8982990 0.87 HTR7 (0.74) HTR7HTR6TDP1TSHR
SCHEMBL8981828 0.87 HTR7 (0.72) HTR7HTR6
SCHEMBL8983094 0.86 HTR7 (0.72) HTR7HTR6
SCHEMBL8983058 0.86 HTR7 (0.72) HTR7HTR6
Hydrochloric Acid SCHEMBL4226923 0.86 HTR7 (0.71) HTR7HTR6MEN1KMT2A

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-8188115-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-05-29 US disclosed
US-8188115-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-05-29 US disclosed
US-20090163542-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
US-20090163542-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
US-7211585-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-7211585-B2 5-HT7 receptor antagonists 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-20090163542-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A HTR7 1/4885FABP4 3401/4885HTR6 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.