SCHEMBL3494082

SCHEMBL3494082

CC(C)(C)C1C(Cc2ccccc2)N(C(=O)c2nnn(-c3ccc(OCc4ccccc4)cc3)c2-c2ccccc2)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.37
MCL1 Q07820 2/20 0.36
MAPT P10636 1/20 0.35
BCL2 P10415 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
CA12 O43570 1/20 0.34
S1PR5 Q9H228 1/20 0.34
SLC6A7 Q99884 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM1A O60341 3/20 0.34
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
MGLL Q99685 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3492197 0.87 AVPR2 (0.38) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL4980116 0.81 CA1 (0.39) MDM2MAPTKDM4ESLC6A7MGLL
SCHEMBL3494077 0.80 ABHD6 (0.52) MEN1KMT2A
SCHEMBL3494080 0.78 MDM2 (0.38) MDM2MCL1MAPTBCL2KDM4E
SCHEMBL3496099 0.75 KDM4E (0.58) MDM2MCL1BCL2ALDH1A1KDM4E
SCHEMBL3494753 0.72 ABHD6 (0.49) MAPTMGLL
SCHEMBL3494932 0.72 ABHD6 (0.49) MAPTMGLL
SCHEMBL3495888 0.71 CA1 (0.42) ALDH1A1KDM4EMGLL
SCHEMBL3494754 0.70 POLB (0.36) MDM2ALDH1A1MEN1KMT2AMGLL
SCHEMBL3494934 0.70 POLB (0.36) MDM2ALDH1A1MEN1KMT2AMGLL

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 MDM2 3846/4885MCL1 4691/4885MAPT 4821/4885

“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.