SCHEMBL22705388

SCHEMBL22705388

C[C@@H]1CCCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
ALDH1A1 P00352 3/20 0.52
PPARA Q07869 5/20 0.50
MAPT P10636 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
CYP2C19 P33261 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
CYP2D6 P10635 1/20 0.50
EPHX2 P34913 1/20 0.49
HPGD P15428 3/20 0.49
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL22705434 0.85 RIPK1 (0.53) LMNAALDH1A1PPARAMAPTCYP1A2
SCHEMBL22705447 0.82 RIPK1 (0.63) LMNAALDH1A1PPARAMAPTCYP1A2
SCHEMBL22705507 0.82 RIPK1 (0.63) LMNAALDH1A1PPARAMAPTCYP1A2
SCHEMBL22705438 0.81 LMNA (0.52) LMNAALDH1A1PPARAMAPTCYP1A2
SCHEMBL22705476 0.81 LMNA (0.52) LMNAALDH1A1PPARAMAPTCYP1A2
SCHEMBL22705484 0.80 LMNA (0.48) LMNAALDH1A1PPARAMAPTCYP1A2
SCHEMBL22705464 0.80 LMNA (0.51) LMNAALDH1A1PPARAMAPTCYP1A2
SCHEMBL22705392 0.79 LMNA (0.53) LMNAALDH1A1PPARAMAPTCYP1A2
SCHEMBL22705459 0.79 HSP90AA1 (0.53) LMNAALDH1A1PPARAMAPTCYP1A2
SCHEMBL22705466 0.79 RIPK1 (0.53) LMNAALDH1A1PPARAMAPTCYP1A2

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-20220213077-A1 INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2022-07-07 US disclosed
WO-2020233618-A1 INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海有机化学研究所 (CN) 2020-11-26 WO 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-20220213077-A1 INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF LITAF, TNF, BAD LMNA 343/4885ALDH1A1 2251/4885PPARA 1858/4885

“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.