SCHEMBL24350987

SCHEMBL24350987

CC(C)(C)OC(=O)N1CCC(C)(c2ccc(C(F)F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ TSHR P16473 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GPR119 Q8TDV5 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ RORC P51449 3/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 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
SCHEMBL17886655 0.85 ATM (0.45) ATMTSHRALOX15ALDH1A1MAPT
SCHEMBL16554013 0.84 TACR1 (0.48) ATMTSHRALOX15ALDH1A1MAPT
SCHEMBL16554218 0.84 ATM (0.44) ATMTSHRALOX15ALDH1A1MAPT
SCHEMBL13608428 0.84 GPR119 (0.53) ATMTSHRALOX15ALDH1A1MAPT
SCHEMBL19459178 0.84 ESR2 (0.48) ATMTSHRALOX15ALDH1A1MAPT
SCHEMBL16553809 0.83 ATM (0.43) ATMTSHRALOX15ALDH1A1MAPT
SCHEMBL16764329 0.83 NR1H2 (0.49) ATMTSHRALOX15ALDH1A1MAPT
SCHEMBL16764525 0.83 RORC (0.53) ATMTSHRALOX15ALDH1A1MAPT
SCHEMBL3246933 0.82 TSHR (0.57) ATMTSHRALOX15GPR119MEN1
SCHEMBL23411856 0.82 GPR119 (0.55) ATMTSHRALOX15ALDH1A1MAPT

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-11352357-B2 Cycloalkylurea derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-07 — — US disclosed
US-20220081441-A1 CYCLOALKYLUREA DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-03-17 — — 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-11352357-B2 Cycloalkylurea derivative HCRTR2, HCRTR1, CRHR2 ATM 3843/4885TSHR 499/4885ALOX15 2309/4885
US-20220081441-A1 CYCLOALKYLUREA DERIVATIVE HCRTR2, HCRTR1, CRHR2 ATM 3843/4885TSHR 499/4885ALOX15 2309/4885

“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.

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