SCHEMBL6711645

SCHEMBL6711645

O=S1(=O)c2ccccc2CN1CCN1CCN(c2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ADRB1 P08588 1/20 0.45
MAPT P10636 3/20 0.44
TSHR P16473 1/20 0.44
CYP2D6 P10635 1/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
DRD2 P14416 5/20 0.41
DRD3 P35462 2/20 0.41
DRD1 P21728 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
HTR1A P08908 5/20 0.41
HTR2A P28223 5/20 0.41
DRD5 P21918 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
SCHEMBL6714260 0.83 HTR1A (0.55) DRD2DRD3DRD1HTR1AHTR2A
SCHEMBL6718954 0.82 HTR1A (0.59) ALDH1A1LMNAKDM4EMAPTTSHR
Hydrochloric Acid SCHEMBL6719032 0.79 DRD3 (0.50) DRD2DRD3HTR1AHTR2ADRD5
Hydrochloric Acid SCHEMBL6712786 0.78 HTR1A (0.55) ALDH1A1LMNAKDM4EMAPTDRD2
SCHEMBL6712772 0.78 HTR1A (0.54) ALDH1A1CYP2D6DRD2DRD3DRD1
SCHEMBL6711653 0.77 DRD3 (0.62) ALDH1A1L3MBTL1LMNAHSD17B10KDM4E
SCHEMBL6714591 0.74 HRH4 (0.57) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL6719642 0.74 HTR3E (0.54) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL12968838 0.74 ADRB1 (0.68) ALDH1A1L3MBTL1HSD17B10KDM4EADRB1
SCHEMBL9725103 0.73 ADRB1 (0.59) ALDH1A1L3MBTL1LMNAHSD17B10KDM4E

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 ALDH1A1 271/4885L3MBTL1 4597/4885LMNA 1973/4885

“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.