SCHEMBL21100815

SCHEMBL21100815

CC1=CCC(CN2CCOCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.41
IKZF2 Q9UKS7 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
MAPK1 P28482 1/20 0.36
LMNA P02545 4/20 0.36
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
OPRD1 P41143 1/20 0.35
HTR2B P41595 1/20 0.35
CYP2A13 Q16696 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL21100812 0.81 MAPK1 (0.38) THRBHRH3MAPK1ALDH1A1CYP3A4
SCHEMBL8225088 0.80 THRB (0.36) THRBHRH3MAPK1LMNAALDH1A1
SCHEMBL21163600 0.78 LTA4H (0.34) IKZF2LMNAALDH1A1NPC1TSHR
SCHEMBL16374494 0.71 OPRL1 (0.38) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL31628992 0.71 THRB (0.44) THRBHRH3LMNAADRA2ADRD2
SCHEMBL10887182 0.71 MEN1 (0.36) OPRD1RAB9AMEN1KMT2A
SCHEMBL2563770 0.70 LMNA (0.45) MAPK1LMNAALDH1A1NPC1TSHR
SCHEMBL7562139 0.70 CHRM5 (0.48) THRBHRH3ADRA2CALDH1A1SMN1; SMN2
SCHEMBL14535216 0.70 CHRM5 (0.48) THRBHRH3ADRA2CALDH1A1SMN1; SMN2
SCHEMBL7786843 0.70 NPC1 (0.42) LMNAALDH1A1NPC1TSHRRAB9A

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
US-10745356-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2020-08-18 US disclosed
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. 2019-09-19 US disclosed
US-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 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 (3 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-10745356-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT THRB 2582/4885IKZF2 1726/4885HRH3 2194/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT THRB 2582/4885IKZF2 1726/4885HRH3 2194/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT THRB 2582/4885IKZF2 1726/4885HRH3 2194/4885

“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.