SCHEMBL6711653

SCHEMBL6711653

O=C1c2ccccc2CN1CCN1CCN(c2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.62
DRD2 P14416 6/20 0.62
DRD5 P21918 4/20 0.62
DRD1 P21728 6/20 0.51
HTR1A P08908 1/20 0.50
HTR7 P34969 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ADRB1 P08588 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6716162 0.84 DRD3 (0.69) DRD3DRD2DRD5DRD1HTR1A
SCHEMBL6972081 0.80 DRD3 (0.57) DRD3DRD2DRD5DRD1HTR1A
Hydrochloric Acid SCHEMBL6712934 0.79 DRD3 (0.56) DRD3DRD2DRD5DRD1HTR1A
SCHEMBL6711645 0.77 ALDH1A1 (0.48) DRD3DRD2DRD5DRD1HTR1A
SCHEMBL6711558 0.74 DRD3 (0.56) DRD3DRD2DRD5DRD1HTR1A
SCHEMBL9725103 0.74 ADRB1 (0.59) DRD3DRD2DRD1HTR1AL3MBTL1
SCHEMBL6714657 0.74 HRH4 (0.55) DRD3DRD2DRD5HTR1AHTR7
SCHEMBL11631810 0.73 DRD2 (0.72) DRD3DRD2DRD5DRD1HTR1A
SCHEMBL12968838 0.72 ADRB1 (0.68) L3MBTL1KDM4EADRB1ALDH1A1HSD17B10
SCHEMBL2799020 0.72 ADRA1B (0.52) DRD3DRD2DRD1HTR1AHTR7

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 DRD3 178/4885DRD2 83/4885DRD5 120/4885

“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.