SCHEMBL3493775

SCHEMBL3493775

COC(=O)c1cccc(OCC2C(C(C)(C)C)N(C(=O)O)CCN2C(=O)c2cc(C)n(-c3ccccc3)c2-c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
LMNA P02545 5/20 0.36
TP53 P04637 2/20 0.36
NOTUM Q6P988 2/20 0.35
HTT P42858 3/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 2/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
MCHR1 Q99705 1/20 0.34
MITF O75030 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
SCHEMBL3494786 0.92 TP53 (0.43) LMNATP53HTTTSHRSMN1; SMN2
SCHEMBL3493364 0.85 KDM1A (0.35) LMNATP53HTTTSHRSMN1; SMN2
SCHEMBL3493594 0.84 CNR2 (0.34) LMNATP53ALDH1A1
SCHEMBL4982433 0.83 CPT2 (0.37) CPT2CPT1ALMNATP53NOTUM
SCHEMBL3493772 0.82 USP30 (0.38) CPT2CPT1ALMNATP53NOTUM
SCHEMBL3493902 0.80 DHODH (0.36) LMNATP53NOTUMHTTTSHR
SCHEMBL3495949 0.77 NOTUM (0.35) NOTUM
SCHEMBL3494290 0.75 NOTUM (0.34) LMNANOTUMHTTTSHRSMN1; SMN2
SCHEMBL3496195 0.75 CNR2 (0.35) LMNATP53NOTUMHTTTSHR
SCHEMBL3492179 0.75 USP30 (0.40) LMNATP53NOTUMHTTTSHR

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 CPT2 3876/4885CPT1A 1931/4885LMNA 201/4885

“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.