SCHEMBL6712910

SCHEMBL6712910

O=C1CCSc2ccccc2N1CCN1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
HRH4 Q9H3N8 1/20 0.47
HTR1A P08908 3/20 0.46
HTR1B P28222 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
KDM1A O60341 1/20 0.45
HTR1D P28221 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2C P28335 1/20 0.42
SORD Q00796 1/20 0.41
HTR7 P34969 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL6715841 0.90 HRH4 (0.49) HRH4HTR1AHTR1BADRA1DADRA1A
SCHEMBL6970561 0.84 CHRM1 (0.48) DRD2DRD3HRH4HTR1AHTR7
SCHEMBL6971856 0.84 HTR1A (0.50) HRH4HTR1AHTR7
SCHEMBL6715989 0.84 DRD2 (0.59) DRD2DRD3HRH4HTR1AADRA1D
SCHEMBL6711688 0.82 HRH4 (0.52) DRD2DRD3HRH4HTR1AHTR1B
SCHEMBL6715832 0.81 HTR1A (0.63) DRD2DRD3HRH4HTR1AHTR1B
SCHEMBL6714648 0.80 HTR1A (0.49) DRD2HRH4HTR1AHTR1BADRA1D
SCHEMBL7084667 0.79 HRH4 (0.51) DRD2DRD3HRH4HTR1AHTR1B
SCHEMBL6977709 0.78 GRIN1 (0.66) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL6973851 0.78 DRD2 (0.59) DRD2DRD3HRH4HTR1AHTR1B

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 DRD2 83/4885DRD3 178/4885HRH4 937/4885

“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.