SCHEMBL21361205

SCHEMBL21361205

CC(C)C(=O)N[C@H]1CC(CC(C)C(=O)N[C@@H]2CCC[C@H]2O)C[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
ACVR1 Q04771 1/20 0.30
TRPV1 Q8NER1 4/20 0.30
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30

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
SCHEMBL13380101 0.81 PTGS1 (0.38) CHRNB4CHRNA3CNR1CNR2
SCHEMBL19755664 0.81 PTGS1 (0.38) CHRNB4CHRNA3CNR1CNR2
SCHEMBL19755665 0.81 PTGS1 (0.38) CHRNB4CHRNA3CNR1CNR2
SCHEMBL21100961 0.81 PTGS1 (0.38) CHRNB4CHRNA3CNR1CNR2
SCHEMBL16373137 0.81 PTGS1 (0.38) CHRNB4CHRNA3CNR1CNR2
SCHEMBL24904230 0.80 KDM4E (0.36) CHRNB4CHRNA3
SCHEMBL21100739 0.80 CHRNB4 (0.34) CHRNB4CHRNA3
SCHEMBL18347952 0.78 TAS1R3 (0.38) CHRNB4CHRNA3CNR1CNR2
SCHEMBL621014 0.78 TAS1R3 (0.38) CHRNB4CHRNA3CNR1CNR2
SCHEMBL15247217 0.75 CHRNB4 (0.54) CHRNB4CHRNA3

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CHRNB4 4382/4885CHRNA3 4269/4885ACVR1 1917/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT CHRNB4 4382/4885CHRNA3 4269/4885ACVR1 1917/4885

“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.