SCHEMBL24973992

SCHEMBL24973992

CC(C)Cc1ccc(CN(C)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRK1 P41145 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KCNH2 Q12809 1/20 0.52
PYCR1 P32322 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX5 P09917 2/20 0.41
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1C3 P42330 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
ALB P02768 1/20 0.41

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
SCHEMBL21127229 0.89 ADRA2B (0.50) HTR2AADRA2BADRA2CSLC6A2SLC6A4
SCHEMBL10207536 0.82 HRH3 (0.58) HTR2AADRA2BADRA2CSLC6A2SLC6A4
SCHEMBL22388384 0.80 ADRA2B (0.46) HTR2AADRA2BADRA2CSLC6A2SLC6A4
SCHEMBL14174895 0.80 MEN1 (0.47) HTR2AADRA2BADRA2CSLC6A2SLC6A4
SCHEMBL13588644 0.80 PYCR1 (0.47) HTR2AADRA2BADRA2CSLC6A2SLC6A4
SCHEMBL21955633 0.79 PTGS1 (0.45) HTR2AADRA2BADRA2CSLC6A2SLC6A4
SCHEMBL24851495 0.79 ADRA2B (0.40) HTR2AADRA2BADRA2CSLC6A2SLC6A4
SCHEMBL23059839 0.78 PYCR1 (0.55) HTR2AADRA2BADRA2CSLC6A2SLC6A4
SCHEMBL13532083 0.78 PYCR1 (0.48) HTR2AADRA2BADRA2CSLC6A2SLC6A4
SCHEMBL5204980 0.78 MAPT (0.46) HTR2AADRA2BADRA2CSLC6A2SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP HTR2A 3849/4885ADRA2B 3687/4885ADRA2C 3998/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP HTR2A 3849/4885ADRA2B 3687/4885ADRA2C 3998/4885

“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.