SCHEMBL13398486

SCHEMBL13398486

CCOC(=O)c1ncsc1-c1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 6/20 0.43
GABRB3 P28472 6/20 0.43
GABRA5 P31644 6/20 0.43
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
CYP2D6 P10635 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
CYP2C19 P33261 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43

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
SCHEMBL9586052 0.90 NPC1 (0.51) GABRG2GABRB3GABRA5TSHRALDH1A1
SCHEMBL13398594 0.89 GABRG2 (0.43) GABRG2GABRB3GABRA5ALDH1A1GABRA2
SCHEMBL9586392 0.85 JAK2 (0.46) GABRG2GABRB3GABRA5TSHRALDH1A1
SCHEMBL9585524 0.82 GRM6 (0.52) GABRG2GABRB3GABRA5ALDH1A1GABRA2
SCHEMBL9586349 0.81 PRKCZ (0.43) ALDH1A1GABRA2GABRB2CYP1A2SMN1; SMN2
SCHEMBL9586449 0.80 CYP1A2 (0.58) ALDH1A1MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL13398519 0.80 CYP1A2 (0.41) ALDH1A1CYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL13398658 0.80 KDM4E (0.51) CYP1A2NPC1RAB9ALMNACYP3A4
SCHEMBL9586066 0.79 CYP1A2 (0.42) GABRG2GABRB3GABRA5TSHRALDH1A1
SCHEMBL13398523 0.78 PTPRC (0.46) GABRA2GABRB2CYP1A2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 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-20100105658-A1 AZA-BRIDGED-RING COMPOUND CHRM3, CHRM1, CHRM2 GABRG2 772/4885GABRB3 208/4885GABRA5 286/4885

“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.