SCHEMBL21100748

SCHEMBL21100748

CC(C)C1=CCN(C(=O)N2CCOCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
AKR1C3 P42330 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
LIPE Q05469 1/20 0.43
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
FKBP1A P62942 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 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
SCHEMBL12205461 0.86 HRH3 (0.46) MAPTAKR1C3KMT2AMEN1KCNH2
SCHEMBL26027574 0.84 KCNH2 (0.45) MAPTAKR1C3KMT2AMEN1KCNH2
SCHEMBL17888270 0.80 AKR1C3 (0.50) MAPTAKR1C3KMT2AMEN1TP53
SCHEMBL17660297 0.78 MAPT (0.39) MAPTKMT2AMEN1KCNH2HRH3
SCHEMBL104852 0.77 QDPR (0.45) MAPTKMT2AKCNH2HRH3LMNA
SCHEMBL19226403 0.77 MEN1 (0.44) MAPTAKR1C3KMT2AMEN1TP53
SCHEMBL21078107 0.76 AKR1C3 (0.50) MAPTAKR1C3KMT2AMEN1TP53
SCHEMBL21665288 0.76 MEN1 (0.34) KMT2AMEN1KCNH2HRH3LMNA
SCHEMBL12030751 0.76 NAMPT (0.43) KCNH2HRH3
SCHEMBL25628757 0.73 NAMPT (0.47)

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 MAPT 863/4885AKR1C3 754/4885KMT2A 3608/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT MAPT 863/4885AKR1C3 754/4885KMT2A 3608/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT MAPT 863/4885AKR1C3 754/4885KMT2A 3608/4885

“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.