SCHEMBL6490259

SCHEMBL6490259

CC(C)Oc1ccc(Cl)cc1CN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.56
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
CCR5 P51681 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
SLC9A1 P19634 1/20 0.39
TSPO P30536 1/20 0.38
HTR2A P28223 3/20 0.38
TSHR P16473 2/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2A6 P11509 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL19447416 0.84 CSNK2A1 (0.45) CSNK2A1FFAR4SLC9A1TSPOHTR2A
SCHEMBL16950499 0.82 MAPT (0.53) CSNK2A1FFAR4SLC9A1TSPOHTR2A
SCHEMBL15539889 0.82 KMT2A (0.46) CSNK2A1CCR5HTR2ATSHRSLC6A4
Hydrochloric Acid SCHEMBL15559545 0.81 KMT2A (0.45) CSNK2A1CCR5HTR2ATSHRHTR2C
SCHEMBL12697235 0.80 NOS3 (0.50) CSNK2A1NOS3NOS1FFAR4TSHR
SCHEMBL1196055 0.79 KDM4E (0.47) CCR5SLC6A4KCNH2MEN1LMNA
SCHEMBL20472358 0.79 CSNK2A1 (0.47) CSNK2A1NOS3NOS1SLC6A4KCNH2
SCHEMBL12695021 0.79 CSNK2A1 (0.47) CSNK2A1NOS3NOS1TSHRGAA
SCHEMBL5759267 0.78 FFAR4 (0.44) CSNK2A1FFAR4TSPOHTR2ATSHR
Hydrochloric Acid SCHEMBL31321966 0.78 KDM4E (0.46) CCR5SLC6A4KCNH2MEN1LMNA

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-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US disclosed
EP-1241176-A1 Purine derivatives for the treatment of ischemia Pfizer Products Inc. (US) 2002-09-18 EP 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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R CSNK2A1 3046/4885NOS3 116/4885NOS1 795/4885

“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.