SCHEMBL4225899

SCHEMBL4225899

NCCCCCN1CCc2ccccc2C1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.62
HTR1A P08908 6/20 0.60
DRD3 P35462 3/20 0.60
HDAC3 O15379 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
NCOR2 Q9Y618 1/20 0.59
DRD2 P14416 2/20 0.57
HTR2A P28223 2/20 0.57
SLC6A4 P31645 2/20 0.57
HRH1 P35367 2/20 0.57
HTR2B P41595 2/20 0.57

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
SCHEMBL27921604 1.00 HTR7 (0.62) HTR7HTR1ADRD3HDAC3HDAC1
Hydrochloric Acid SCHEMBL4224101 0.98 HTR7 (0.61) HTR7HTR1ADRD3HDAC3HDAC1
Hydrochloric Acid SCHEMBL4231322 0.98 HTR7 (0.61) HTR7HTR1ADRD3HDAC3HDAC1
SCHEMBL4229926 0.98 HTR7 (0.64) HTR7HTR1ADRD3HDAC3HDAC1
Hydrochloric Acid SCHEMBL4224319 0.97 HTR7 (0.62) HTR7HTR1ADRD3HDAC3HDAC1
Hydrochloric Acid SCHEMBL4222983 0.97 HTR7 (0.62) HTR7HTR1ADRD3HDAC3HDAC1
SCHEMBL2795026 0.93 HTR7 (0.63) HTR7HTR1ADRD3HDAC3HDAC1
Hydrochloric Acid SCHEMBL4255618 0.92 HTR7 (0.61) HTR7HTR1ADRD3DRD2HTR2A
Hydrochloric Acid SCHEMBL31687556 0.92 HTR7 (0.61) HTR7HTR1ADRD3DRD2HTR2A
Hydrochloric Acid SCHEMBL7982174 0.92 HTR7 (0.61) HTR7HTR1ADRD3DRD2HTR2A

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 4 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
US-20060040978-A1 5-HT7 receptor antagonists LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2006-02-23 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 (2 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 2/4885DRD3 122/4885
US-20060040978-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A HTR7 1/4885HTR1A 2/4885DRD3 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.