SCHEMBL20716155

SCHEMBL20716155

C=C(CCCN)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
GABRR3 A8MPY1 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
HDAC3 O15379 1/20 0.36
GABBR2 O75899 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
GABRA1 P14867 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRR1 P24046 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRR2 P28476 1/20 0.36
SLC6A1 P30531 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL21081410 0.90 PAOX (0.44) LMNATHRBTSHRBLMKMT2A
SCHEMBL19387328 0.83
SCHEMBL22260347 0.78 CYP1A2 (0.32) CYP1A2GABRR3GABRPGABRDHDAC3
SCHEMBL18660928 0.76 ALDH1A1 (0.42) LMNATHRBTSHR
SCHEMBL4819387 0.76
SCHEMBL22810287 0.75
SCHEMBL25125961 0.72 TSHR (0.46) TSHRKMT2AHDAC11
SCHEMBL20976362 0.72 TSHR (0.46) TSHRKMT2AHDAC11
SCHEMBL21901860 0.72 TSHR (0.46) TSHRKMT2AHDAC11
SCHEMBL12891027 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190038602-A1 GRANZYME B INHIBITOR FORMULATIONS AND METHODS FOR THE TREATMENT OF BURNS VIDA THERAPEUTICS, INC. (CA) 2019-02-07 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-20190038602-A1 GRANZYME B INHIBITOR FORMULATIONS AND METHODS FOR THE TREATMENT OF BURNS GZMB, CTSB, SERPINB1 CYP1A2 4314/4885GABRR3 887/4885GABRP 1153/4885

“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.