SCHEMBL8980475

SCHEMBL8980475

Cc1c(C)c(C)c(S(=O)(=O)NCCCCN2CCc3ccccc3C2)c(C)c1C

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.72
HTR6 P50406 2/20 0.59
TP53 P04637 1/20 0.51
DRD3 P35462 2/20 0.49
DRD2 P14416 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
HTR1A P08908 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 SCHEMBL4379018 0.99 HTR7 (0.71) HTR7HTR6TP53DRD3DRD2
SCHEMBL8980503 0.99 HTR7 (0.71) HTR7HTR6TP53HDAC3HDAC1
Hydrochloric Acid SCHEMBL4234118 0.98 HTR7 (0.69) HTR7HTR6TP53HDAC3HDAC1
SCHEMBL10035530 0.96 HTR7 (0.72) HTR7HTR6TP53
Hydrochloric Acid SCHEMBL2136834 0.95 HTR7 (0.70) HTR7HTR6TP53
SCHEMBL8980179 0.87 HTR7 (0.68) HTR7HTR6
SCHEMBL8980444 0.86 HTR7 (0.67) HTR7HTR6HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL4228344 0.86 HTR7 (0.67) HTR7HTR6
SCHEMBL8980661 0.86 HTR7 (0.72) HTR7HTR6DRD3DRD2HDAC3
SCHEMBL8980545 0.86 HTR7 (0.72) HTR7HTR6DRD3DRD2HDAC3

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 1/4885HTR6 7/4885TP53 4792/4885

“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.