SCHEMBL3494935

SCHEMBL3494935

CC(C)(C)C1C(Cc2ccccc2)N(C(=O)c2nnn(-c3cccc(OCc4ccccc4)c3)c2-c2ccccc2)CCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SLC5A1 P13866 3/20 0.36
GAA P10253 1/20 0.36
NAAA Q02083 1/20 0.36
SPHK2 Q9NRA0 2/20 0.36
BCHE P06276 1/20 0.35
LIPC P11150 1/20 0.35
ACHE P22303 1/20 0.35
LIPE Q05469 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
PPARG P37231 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TSHR P16473 1/20 0.34
CHRNB2 P17787 1/20 0.34

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
SCHEMBL3494756 1.00 POLB (0.39) POLBMEN1KMT2AALDH1A1SLC5A1
SCHEMBL3494082 0.92 MDM2 (0.37) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL3492197 0.86 AVPR2 (0.38) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL3494753 0.80 ABHD6 (0.49) SLC5A1
SCHEMBL3494932 0.80 ABHD6 (0.49) SLC5A1
SCHEMBL3493902 0.80 DHODH (0.36) ALDH1A1NAAASPHK2SPHK1SMN1; SMN2
SCHEMBL3494754 0.78 POLB (0.36) POLBMEN1KMT2AALDH1A1SLC5A1
SCHEMBL3494934 0.78 POLB (0.36) POLBMEN1KMT2AALDH1A1SLC5A1
SCHEMBL3494269 0.76 POLB (0.60) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL3493856 0.74 MEN1 (0.39) POLBMEN1KMT2AALDH1A1SMN1; SMN2

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 1984/4885MEN1 750/4885KMT2A 952/4885

“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.