SCHEMBL26814865

SCHEMBL26814865

CC(C)c1ccc(C(=O)OCCCN2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.71
KMT2A Q03164 8/20 0.60
MEN1 O00255 7/20 0.60
BCHE P06276 2/20 0.60
HRH3 Q9Y5N1 4/20 0.58
KCNH2 Q12809 2/20 0.58
DRD3 P35462 1/20 0.53
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
SLC29A1 Q99808 2/20 0.51
CYP3A4 P08684 2/20 0.51
ABCC4 O15439 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CHRM3 P20309 1/20 0.51
HTR2A P28223 1/20 0.51
MAPK1 P28482 1/20 0.51
SLC6A4 P31645 1/20 0.51
CYP2C19 P33261 1/20 0.51
SCN1A P35498 1/20 0.51

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
SCHEMBL26814906 0.92 KMT2A (0.70) CYP2D6KMT2AMEN1BCHEHRH3
SCHEMBL24370747 0.87 KDM4E (0.65) CYP2D6KMT2AMEN1BCHEHRH3
SCHEMBL11638745 0.85 CYP2D6 (0.77) CYP2D6KMT2AMEN1HRH3KCNH2
SCHEMBL8355590 0.82 CYP2D6 (0.76) CYP2D6KMT2AMEN1BCHEHRH3
SCHEMBL19354669 0.82 CYP2D6 (0.60) CYP2D6KMT2AMEN1HRH3KCNH2
Hydrochloric Acid SCHEMBL8622970 0.81 CYP2D6 (0.74) CYP2D6KMT2AMEN1BCHEHRH3
SCHEMBL10761732 0.80 ALDH1A1 (0.58) CYP2D6KMT2AMEN1HRH3KCNH2
SCHEMBL19321863 0.79 CYP2D6 (0.67) CYP2D6KMT2AMEN1HRH3KCNH2
SCHEMBL26820898 0.79 ATM (0.71) KMT2AMEN1BCHELMNASMN1; SMN2
SCHEMBL3326110 0.78 CYP2D6 (0.70) CYP2D6KMT2AMEN1HRH3KCNH2

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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A CYP2D6 805/4885KMT2A 4505/4885MEN1 4307/4885

“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.