SCHEMBL22601439

SCHEMBL22601439

CC(C)(C)c1cc(N2CCC(N3CCOCC3)CC2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.44
L3MBTL3 Q96JM7 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ACVR1 Q04771 5/20 0.41
HRH3 Q9Y5N1 1/20 0.40
AOC3 Q16853 2/20 0.40
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
ACVR1B P36896 1/20 0.39
TGFBR1 P36897 1/20 0.39
MBTD1 Q05BQ5 1/20 0.39
PIK3CD O00329 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL20224125 0.86 LMNA (0.45) PIK3CD
SCHEMBL22601446 0.85 MEN1 (0.43)
SCHEMBL22601559 0.78 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1
SCHEMBL12744643 0.76 L3MBTL3 (0.54) L3MBTL3L3MBTL1HRH3MBTD1
SCHEMBL23510718 0.76 ALDH1A1 (0.54) L3MBTL3L3MBTL1AOC3MBTD1PIK3CD
SCHEMBL22601587 0.76 HRH4 (0.51) L3MBTL1PIK3CD
SCHEMBL12082369 0.74 L3MBTL3 (0.59) L3MBTL3L3MBTL1HRH3MBTD1
SCHEMBL22601451 0.74 HRH4 (0.54) L3MBTL1PIK3CD
SCHEMBL20249266 0.74 MAP4K4 (0.42) L3MBTL3L3MBTL1CYP3A4CYP2D6CYP2C9
SCHEMBL20224121 0.73 HRH4 (0.56)

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 TTK 1612/4885L3MBTL3 2828/4885L3MBTL1 1469/4885

“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.