SCHEMBL8979974

SCHEMBL8979974

CCS(=O)(=O)NCCCCN1CCc2ccccc2C1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.71
HTR6 P50406 2/20 0.63
DRD3 P35462 3/20 0.53
HTR1A P08908 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
DRD2 P14416 2/20 0.53

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
SCHEMBL22640170 0.88 HTR7 (0.73) HTR7HTR6DRD3HTR1AHDAC3
SCHEMBL8979989 0.85 HTR7 (0.68) HTR7HTR6DRD3HTR1AHDAC3
Hydrochloric Acid SCHEMBL5406729 0.84 HTR7 (0.67) HTR7HTR6DRD3HTR1AHDAC3
SCHEMBL8979759 0.83 HTR7 (1.00) HTR7HTR6HTR1A
SCHEMBL8980475 0.83 HTR7 (0.72) HTR7HTR6DRD3HTR1AHDAC3
SCHEMBL8980016 0.82 HTR7 (0.97) HTR7HTR6HTR1A
Hydrochloric Acid SCHEMBL4224263 0.82 HTR7 (0.97) HTR7HTR6HTR1A
Hydrochloric Acid SCHEMBL4379018 0.82 HTR7 (0.71) HTR7HTR6DRD3DRD2
SCHEMBL8980503 0.82 HTR7 (0.71) HTR7HTR6HDAC3HDAC1HDAC2
SCHEMBL8979883 0.82 HTR7 (0.82) HTR7HTR6HTR1A

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 7/4885DRD3 122/4885

“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.