SCHEMBL6714657

SCHEMBL6714657

O=C1c2ccccc2CN1CCN1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.55
HTR1A P08908 4/20 0.53
DRD2 P14416 2/20 0.53
DRD5 P21918 2/20 0.53
DRD3 P35462 2/20 0.53
HTR7 P34969 1/20 0.52
HTR1B P28222 2/20 0.48
HTR1D P28221 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL6719110 0.90 DRD3 (0.59) HRH4HTR1ADRD2DRD3HTR2A
SCHEMBL7078939 0.89 DRD3 (0.60) HRH4HTR1ADRD2DRD3HTR7
Hydrochloric Acid SCHEMBL6714590 0.88 DRD3 (0.59) HRH4HTR1ADRD2DRD3HTR7
SCHEMBL7085853 0.87 HRH4 (0.55) HRH4HTR1ADRD3HTR7HTR1B
SCHEMBL7560710 0.83 HRH4 (0.58) HRH4HTR1ADRD2HTR7HTR2A
SCHEMBL6716162 0.79 DRD3 (0.69) HTR1ADRD2DRD5DRD3HTR7
Hydrochloric Acid SCHEMBL9380264 0.77 HTR1A (0.66) HTR1ADRD2HTR2A
SCHEMBL6715832 0.76 HTR1A (0.63) HRH4HTR1ADRD2DRD5DRD3
SCHEMBL6715989 0.75 DRD2 (0.59) HRH4HTR1ADRD2DRD3HTR7
SCHEMBL6714591 0.75 HRH4 (0.57) HRH4HTR1ADRD2DRD3HTR1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138203-A1 Bicyclic lactams and sulfonamides with 5-ht1a -affinity and use thereof for preventing and treating cerebral ischaemia STEINER GERD 2004-07-15 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-20040138203-A1 Bicyclic lactams and sulfonamides with 5-ht1a -affinity and use thereof for preventing and treating cerebral ischaemia HTR1A, HTR5A, HTR2C HRH4 937/4885HTR1A 1/4885DRD2 83/4885

“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.