SCHEMBL4229925

SCHEMBL4229925

NC(=O)CCCN1CCc2ccccc2C1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.73
HTR1A P08908 9/20 0.73
DRD3 P35462 8/20 0.73
DRD2 P14416 7/20 0.73
HTR2B P41595 7/20 0.73
HTR2A P28223 6/20 0.73
HRH1 P35367 6/20 0.73
SLC6A4 P31645 3/20 0.72
HDAC3 O15379 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
NCOR2 Q9Y618 2/20 0.64
HDAC2 Q92769 1/20 0.64
KDM4E B2RXH2 1/20 0.58
ALOX15 P16050 1/20 0.58
PARP2 Q9UGN5 1/20 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
Hydrochloric Acid SCHEMBL4222979 0.98 HTR7 (0.71) HTR7HTR1ADRD3DRD2HTR2B
SCHEMBL4225894 0.95 HDAC3 (0.71) HTR7HTR1ADRD3DRD2HTR2B
Hydrochloric Acid SCHEMBL4224096 0.94 HDAC3 (0.69) HTR7HTR1ADRD3DRD2HTR2B
Hydrochloric Acid SCHEMBL4231320 0.93 HDAC3 (0.71) HTR7HTR1ADRD3DRD2HTR2B
SCHEMBL3891857 0.92 HDAC3 (0.68) HTR7HTR1ADRD3DRD2HTR2B
Fumaric Acid SCHEMBL4232353 0.92 HTR7 (0.66) HTR7HTR1ADRD3DRD2HTR2B
Hydrochloric Acid SCHEMBL4251907 0.91 HDAC3 (0.67) HTR7HTR1ADRD3DRD2HTR2B
Oxalic Acid SCHEMBL4228870 0.90 HDAC3 (0.68) HTR7HTR1ADRD3DRD2HTR2B
SCHEMBL8687907 0.88 HTR7 (0.76) HTR7HTR1ADRD3DRD2HTR2B
Hydrochloric Acid SCHEMBL3887340 0.86 HTR7 (0.74) HTR7HTR1ADRD3DRD2HTR2B

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-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.