SCHEMBL14827765

SCHEMBL14827765

CCCN(CCC)CCN1CCc2ccc(N)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PTK2B Q14289 1/20 0.44
ESR2 Q92731 1/20 0.44
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
CDK4 P11802 1/20 0.38
ALOX15 P16050 1/20 0.38
CCND1 P24385 1/20 0.38
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL20144727 0.92 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAMAPTPTK2B
SCHEMBL14827747 0.85 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMAPTPTK2B
SCHEMBL12333943 0.84 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAMAPTPTK2B
SCHEMBL4200884 0.84 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAMAPTPTK2B
SCHEMBL15037990 0.82 NOS3 (0.47) ALDH1A1KDM4ELMNAMAPTPTK2B
SCHEMBL7647403 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAMAPTPTK2B
SCHEMBL12334299 0.80 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAMAPTPTK2B
SCHEMBL4005243 0.79 NOS3 (0.46) ALDH1A1KDM4ELMNAMAPTPTK2B
SCHEMBL2267570 0.79 HTR2A (0.45) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL14827759 0.78 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMAPTPTK2B

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-20130081213-A1 CATIONIC 6-AMINOINDOLINES, DYEING COMPOSITIONS CONTAINING THEM, PROCESSES AND USES THEREOF L'OREAL (FR) 2013-04-04 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-20130081213-A1 CATIONIC 6-AMINOINDOLINES, DYEING COMPOSITIONS CONTAINING THEM, PROCESSES AND USES THEREOF AADAT, TYR, DDC ALDH1A1 388/4885KDM4E 1899/4885LMNA 1849/4885

“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.