SCHEMBL3249730

SCHEMBL3249730

[CH](c1cccc2ccccc12)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TTR P02766 1/20 0.39
AKR1B1 P15121 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
PIM1 P11309 1/20 0.37
RXRA P19793 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
KDM1A O60341 1/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
CHAT P28329 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL354181 0.70 GRIN2D (0.39) KDM1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3043614 0.69 SLC6A3 (0.41) MEN1KMT2AKDM1AGRIN2DGRIN3B
Phosphine SCHEMBL28240146 0.68 SLC6A3 (0.41) MEN1KMT2AKDM1AGRIN2DGRIN3B
SCHEMBL3100921 0.67 RXRA (0.53) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL3100920 0.67 RXRA (0.53) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL15656969 0.67 KDM1A (0.37) MEN1KMT2AKDM1ATSHRHSD17B10
SCHEMBL3240459 0.66 GRIN2D (0.50) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2494362 0.66 TSHR (0.50) RXRAGRIN2DGRIN3BGRIN1GRIN2A
Phenanthrene SCHEMBL28522812 0.66 ALDH1A1 (0.67) KDM1ATSHRHSD17B10
SCHEMBL816177 0.66 TSHR (0.50) PIM1RXRAGRIN2DGRIN3BGRIN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 MEN1 300/4885KMT2A 85/4885TTR 4426/4885

“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.