SCHEMBL3494080

SCHEMBL3494080

CC(C)(C)C(c1ccccc1)C1CN(C(=O)O)CCN1C(=O)c1nnn(-c2ccc(OCc3ccccc3)cc2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.38
MCL1 Q07820 2/20 0.38
BCL2 P10415 1/20 0.38
MAPT P10636 2/20 0.36
SLC6A7 Q99884 1/20 0.35
PRMT5 O14744 3/20 0.35
ACACB O00763 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CHRM4 P08173 1/20 0.34
CCR5 P51681 1/20 0.34
YAP1 P46937 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 0.93 POLB (0.36) MDM2POLB
SCHEMBL3494754 0.93 POLB (0.36) MDM2POLB
SCHEMBL3492193 0.88 AVPR2 (0.39)
SCHEMBL4980116 0.83 CA1 (0.39) MDM2MAPTSLC6A7KDM4E
SCHEMBL4982251 0.81 FAAH (0.38) MAPTKDM4E
SCHEMBL3494077 0.78 ABHD6 (0.52) PRMT5YAP1
SCHEMBL3494082 0.78 MDM2 (0.37) MDM2MCL1BCL2MAPTSLC6A7
SCHEMBL3493899 0.75 DHODH (0.36) MAPTKDM4E
SCHEMBL3495888 0.73 CA1 (0.42) KDM4E
SCHEMBL3496099 0.72 KDM4E (0.58) MDM2MCL1BCL2POLBKDM4E

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 4691/4885BCL2 1347/4885

“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.