SCHEMBL8983680

SCHEMBL8983680

CN(C)c1cccc2c(S(=O)(=O)NCCCCN3CCc4ccc([N+](=O)O)cc4C3)cccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.56
HTR1A P08908 4/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
RAB9A P51151 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTR6 P50406 3/20 0.50
FUCA1 P04066 1/20 0.49
MEN1 O00255 1/20 0.49
GMNN O75496 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49

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 SCHEMBL5406580 0.91 HTR7 (0.55) HTR7HTR1ANPC1TP53CYP3A4
SCHEMBL8983144 0.86 HTR7 (0.56) HTR7HTR6
SCHEMBL8983153 0.85 HTR7 (0.55) HTR7HTR6
SCHEMBL8982306 0.83 HTR1A (0.66) HTR7HTR1ANPC1TP53CYP3A4
SCHEMBL8982594 0.83 HTR7 (0.56) HTR7HTR6
Hydrochloric Acid SCHEMBL5405070 0.82 HTR1A (0.65) HTR7HTR1ANPC1TP53CYP3A4
SCHEMBL8982515 0.82 HTR7 (0.53) HTR7HTR1AHTR6
SCHEMBL8982080 0.82 HTR7 (0.49) HTR7HTR6
SCHEMBL8982498 0.81 HTR7 (0.48) HTR7HTR6KMT2A
SCHEMBL8982078 0.81 HTR7 (0.61) HTR7HTR6ALDH1A1

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 3 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-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

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 1/4885HTR1A 2/4885NPC1 1916/4885

“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.