SCHEMBL25543788

SCHEMBL25543788

CC(=O)CN1CCC(OC(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
DEGS1 O15121 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
BCHE P06276 3/20 0.32
HRH3 Q9Y5N1 3/20 0.32
MAOB P27338 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL25547807 0.86 HSD17B10 (0.40) KCNQ3KCNQ2CHRM5CHRM3DEGS1
SCHEMBL26501225 0.81 ALDH1A1 (0.40) KCNQ3KCNQ2CHRM5CHRM3DEGS1
SCHEMBL25547808 0.80 GSK3B (0.38) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL15247296 0.79 SMN1; SMN2 (0.37) CHRM5CHRM3MEN1ALDH1A1KMT2A
SCHEMBL12640328 0.79 TERT (0.40) KCNQ3KCNQ2ALDH1A1ADORA2AADORA1
SCHEMBL24492523 0.78 KCNQ3 (0.34) KCNQ3KCNQ2
SCHEMBL12448257 0.77 TSHR (0.54) ALDH1A1TSHRSMN1; SMN2
SCHEMBL26501269 0.77 POLB (0.44) MEN1ALDH1A1KMT2ACYP2C9TSHR
SCHEMBL8301445 0.76 PIK3CD (0.41) KCNQ3KCNQ2MEN1ALDH1A1KMT2A
SCHEMBL22703730 0.75 TAAR1 (0.36) CHRM3ALDH1A1KMT2ABCHECYP2D6

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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 KCNQ3 1489/4885KCNQ2 859/4885CHRM5 4428/4885

“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.