SCHEMBL10192606

SCHEMBL10192606

C=C1C=Cc2cnc([S+](C)[O-])nc2N1C1CCc2cccc(OC)c21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
DRD2 P14416 5/20 0.33

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
SCHEMBL10192608 0.83 HTR1A (0.34) HTR1AHCRTR1HCRTR2DRD2
SCHEMBL10192607 0.75 ALK (0.49)
SCHEMBL659592 0.72 HCRTR2 (0.38) HCRTR1HCRTR2
SCHEMBL7119967 0.61 NPC1 (0.41)
SCHEMBL15577211 0.57 DRD2 (0.55) HTR1ADRD2
SCHEMBL30563675 0.57 HTR1A (0.42) HTR1ADRD2
SCHEMBL26962732 0.57 HTR1A (0.42) HTR1ADRD2
SCHEMBL27118897 0.57 HTR1A (0.42) HTR1ADRD2
SCHEMBL17014302 0.56 HTR1A (0.50) HTR1ADRD2
SCHEMBL265887 0.56 ACHE (0.58) HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 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 (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-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 HTR1A 96/4885HCRTR1 313/4885HCRTR2 153/4885

“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.