SCHEMBL3494754

SCHEMBL3494754

CC(C)(C)C(c1ccccc1)[C@@H]1CN(C(=O)O)CCN1C(=O)c1nnn(-c2cccc(OCc3ccccc3)c2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MGLL Q99685 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MDM2 Q00987 4/20 0.34
CHRNB2 P17787 3/20 0.34
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
CHRNA7 P36544 3/20 0.34
CHRNA4 P43681 3/20 0.34
NAAA Q02083 1/20 0.34
SPHK2 Q9NRA0 1/20 0.34
SLC5A1 P13866 1/20 0.34
MDM4 O15151 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL3494934 1.00 POLB (0.36) POLBALDH1A1MGLLMEN1KMT2A
SCHEMBL3494080 0.93 MDM2 (0.38) POLBMDM2
SCHEMBL4982251 0.88 FAAH (0.38) ALDH1A1MGLLKMT2ASPHK2LMNA
SCHEMBL3492193 0.87 AVPR2 (0.39) ALDH1A1MGLLMEN1KMT2AHPGD
SCHEMBL3493899 0.81 DHODH (0.36) ALDH1A1MGLLSPHK2LMNAHTT
SCHEMBL3494753 0.79 ABHD6 (0.49) MGLLSLC5A1
SCHEMBL3494932 0.79 ABHD6 (0.49) MGLLSLC5A1
SCHEMBL3494756 0.78 POLB (0.39) POLBALDH1A1MEN1KMT2ACHRNB2
SCHEMBL3494935 0.78 POLB (0.39) POLBALDH1A1MEN1KMT2ACHRNB2
SCHEMBL3493856 0.76 MEN1 (0.39) POLBALDH1A1MEN1KMT2ALMNA

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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 POLB 1984/4885ALDH1A1 1062/4885MGLL 2448/4885

“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.