SCHEMBL2243084

SCHEMBL2243084

[CH]1NCCc2[nH]c3cnccc3c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 9/20 0.46
GABRA1 P14867 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
IKBKB O14920 1/20 0.46
AURKA O14965 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PIM1 P11309 1/20 0.46
TOP1 P11387 1/20 0.46
IDO1 P14902 1/20 0.46
HPGD P15428 1/20 0.46
GABRB1 P18505 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL2244050 0.87 ACHE (0.46) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL1456916 0.76 HTR2A (0.51) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL12396541 0.72 CHUK (0.78) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL30322777 0.72 CHUK (0.78) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL13463193 0.69 CHUK (0.43) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL14339454 0.68 MAPT (0.47) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL2222291 0.68 SMN1; SMN2 (0.46) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL20309459 0.68 CHUK (0.39) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL998491 0.68 NISCH (0.61) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL12590220 0.65 CHUK (0.73) CHUKGABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170879-B1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2013-01-16 EP disclosed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 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-20090012077-A1 Novel Compound - 827 CTSS, CTSF, CTSB CHUK 402/4885GABRA1 4784/4885GABRG2 4760/4885

“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.