SCHEMBL4933690

SCHEMBL4933690

CC(C)COc1ccccc1NCCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.49
HRH3 Q9Y5N1 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 2/20 0.45
ACHE P22303 1/20 0.44
BACE1 P56817 4/20 0.44
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CACNA1B Q00975 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL4923702 0.87 L3MBTL1 (0.49) DRD3L3MBTL1KDM4EALDH1A1BACE1
SCHEMBL4925910 0.83 DRD3 (0.51) DRD3HRH3L3MBTL1KDM4EALDH1A1
SCHEMBL4928989 0.82 L3MBTL1 (0.56) DRD3L3MBTL1KDM4EALDH1A1BACE1
SCHEMBL4923558 0.82 ALDH1A1 (0.52) DRD3L3MBTL1KDM4EALDH1A1ACHE
SCHEMBL4930910 0.81 ACHE (0.62) DRD3HRH3L3MBTL1ALDH1A1ACHE
SCHEMBL4925214 0.80 DRD3 (0.60) DRD3HRH3L3MBTL1KDM4EALDH1A1
SCHEMBL4922627 0.73 DRD3 (0.63) DRD3HRH3ACHETDP1CYP2D6
SCHEMBL9764367 0.72 HTR2C (0.43) L3MBTL1KDM4EALDH1A1
SCHEMBL791880 0.72 DRD3 (0.61) DRD3HRH3ACHETDP1CYP2D6
SCHEMBL9803079 0.71 CHRM2 (0.44) KDM4ECACNA1B

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 2434/4885HRH3 2081/4885L3MBTL1 2400/4885

“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.