SCHEMBL6023940

SCHEMBL6023940

CC1(C)CN(c2ccccc2N)CCN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.49
HDAC1 Q13547 1/20 0.47
KEAP1 Q14145 1/20 0.47
GAA P10253 3/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 2/20 0.46
KMT2A Q03164 2/20 0.46
LATS1 O95835 1/20 0.41
PRKCQ Q04759 1/20 0.40
ADRB1 P08588 3/20 0.38
CSNK1E P49674 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
DRD2 P14416 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD3 P35462 1/20 0.35
HTR3A P46098 1/20 0.35

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
SCHEMBL17739040 0.83 HDAC1 (0.40) ADRA2CHDAC1KEAP1GAAMEN1
SCHEMBL17739006 0.82 HDAC1 (0.40) ADRA2CHDAC1KEAP1GAAMEN1
SCHEMBL15770057 0.80 LATS1 (0.55) HDAC1LATS1PRKCQCSNK1EMAPT
SCHEMBL5569781 0.80 NR1H4 (0.41) ADRA2CHDAC1GAALATS1PRKCQ
SCHEMBL20139950 0.78 DRD2 (0.40) HDAC1LATS1ADRB1CSNK1EKDM4E
SCHEMBL19035611 0.76 HTR3E (0.52) HDAC1MEN1USP2KMT2ALATS1
SCHEMBL16580827 0.73 MAPT (0.46) ADRA2CHDAC1GAAMEN1USP2
SCHEMBL532010 0.73 KEAP1 (0.64) ADRA2CKEAP1GAAMEN1USP2
Hydrochloric Acid SCHEMBL4684126 0.72 KEAP1 (0.62) ADRA2CKEAP1GAAMEN1USP2
SCHEMBL293148 0.71 DRD2 (0.43) HDAC1ADRB1KDM4EHTR3EHTR3B

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
US-7662826-B2 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD. (JP) 2010-02-16 US disclosed
US-7067501-B2 Aryloxyphenyl and arylsulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
US-20050171061-A1 Aryloxyphenyl and arylsulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2005-08-04 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-20050171061-A1 Aryloxyphenyl and arylsulfanylphenyl derivatives SLC1A5, SLC6A7, SLC6A19 ADRA2C 1260/4885HDAC1 4191/4885KEAP1 347/4885

“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.