SCHEMBL25836000

SCHEMBL25836000

CN1CCN(CC(=O)OCc2ccccc2)CC1CF

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNA5 P30532 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TMEM97 Q5BJF2 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 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
SCHEMBL25835992 0.89 ALDH1A1 (0.42) PPARGPPARAALDH1A1MAPK1L3MBTL1
SCHEMBL15539932 0.81 SMN1; SMN2 (0.52) SMN1; SMN2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL24251635 0.79 ALDH1A1 (0.59) PPARGPPARAALDH1A1MAPK1L3MBTL1
SCHEMBL1127697 0.78 PPARG (0.58) PPARGPPARAALDH1A1MAPK1L3MBTL1
SCHEMBL7362472 0.77 CHRM1 (0.45) PPARGPPARAALDH1A1MAPK1L3MBTL1
SCHEMBL19695792 0.77 ALDH1A1 (0.42) PPARGPPARAALDH1A1MAPK1L3MBTL1
SCHEMBL8790782 0.77 CHRM1 (0.47) PPARGPPARAALDH1A1MAPK1L3MBTL1
SCHEMBL1393589 0.76 MC4R (0.53) ALDH1A1CYP1A2CYP2C19SIGMAR1POLB
SCHEMBL19695791 0.76 SIGMAR1 (0.52) ALDH1A1SIGMAR1MEN1POLBKMT2A
SCHEMBL24943926 0.76 KDM4E (0.50) ALDH1A1MAPK1L3MBTL1SMN1; SMN2CYP2C19

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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 PPARG 963/4885PPARA 1699/4885ALDH1A1 2690/4885

“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.