SCHEMBL3246604

SCHEMBL3246604

CC(C)(C)c1ccc(CO)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.40
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 2/20 0.38
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
KIF11 P52732 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 2/20 0.35
ALOX15 P16050 2/20 0.35
GMNN O75496 1/20 0.35
GABBR2 O75899 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 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
SCHEMBL3240507 0.85 ALDH1A1 (0.42) ANO1SLC6A2SLC6A4ALDH1A1MEN1
SCHEMBL8572706 0.81 ALDH1A1 (0.42) PRSS1PRSS2PRSS3KIF11ALDH1A1
SCHEMBL30851195 0.81 ALDH1A1 (0.42) PRSS1PRSS2PRSS3KIF11ALDH1A1
SCHEMBL26422443 0.80 ESR1 (0.42) ANO1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL7148021 0.80 KIF11 (0.51) SLC6A2SLC6A4SLC6A3PRSS1PRSS2
SCHEMBL11709829 0.79 ACE2 (0.42) PRSS1PRSS2PRSS3KIF11ALDH1A1
SCHEMBL20865689 0.76 RECQL (0.38) KIF11ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8120483 0.76 ANO1 (0.36) ANO1ALDH1A1TSHRGAAMAPT
SCHEMBL9228324 0.74 ANO1 (0.38) ANO1GAA
SCHEMBL28933477 0.74 CA2 (0.47) EPHX2

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 ANO1 2441/4885SLC6A2 1969/4885SLC6A4 2833/4885

“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.