SCHEMBL4925910

SCHEMBL4925910

CC(C)Oc1ccccc1NCCN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.51
PKM P14618 1/20 0.47
KAT2B Q92831 3/20 0.47
ACHE P22303 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
ADRA1D P25100 3/20 0.44
ADRA1A P35348 3/20 0.44
ADRA1B P35368 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
BACE1 P56817 1/20 0.43
FPR3 P25089 1/20 0.43

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
SCHEMBL4930910 0.84 ACHE (0.62) DRD3PKMACHEHRH3L3MBTL1
SCHEMBL4933690 0.83 DRD3 (0.49) DRD3PKMACHEHRH3L3MBTL1
SCHEMBL4923702 0.81 L3MBTL1 (0.49) DRD3L3MBTL1KDM4EALDH1A1BACE1
SCHEMBL4928989 0.79 L3MBTL1 (0.56) DRD3L3MBTL1KDM4EALDH1A1BACE1
SCHEMBL4923558 0.79 ALDH1A1 (0.52) DRD3ACHEL3MBTL1KDM4EALDH1A1
SCHEMBL4925214 0.76 DRD3 (0.60) DRD3HRH3L3MBTL1KDM4EALDH1A1
SCHEMBL5649593 0.75 CA12 (0.46) ACHEKDM4EALDH1A1
SCHEMBL4922627 0.75 DRD3 (0.63) DRD3KAT2BACHEHRH3
SCHEMBL791880 0.74 DRD3 (0.61) DRD3KAT2BACHEHRH3
SCHEMBL27506186 0.73 ALDH1A1 (0.42) ACHEL3MBTL1KDM4EALDH1A1

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-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 DRD3 2434/4885PKM 302/4885KAT2B 2565/4885

“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.