SCHEMBL3494786

SCHEMBL3494786

COC(=O)c1ccc(OCC2C(C(C)(C)C)N(C(=O)O)CCN2C(=O)c2cc(C)n(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
MITF O75030 1/20 0.38
MAPK1 P28482 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.35

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
SCHEMBL3493775 0.92 CPT2 (0.38) TP53LMNAALDH1A1HPGDNPSR1
SCHEMBL3493364 0.89 KDM1A (0.35) TP53LMNAHPGDMAPTHTT
SCHEMBL3493594 0.88 CNR2 (0.34) TP53LMNAALDH1A1
SCHEMBL3496017 0.83 TP53 (0.44) TP53LMNAALDH1A1HPGDNPSR1
SCHEMBL3494783 0.82 LMNA (0.41) TP53LMNAALDH1A1HPGDNPSR1
SCHEMBL8239061 0.81 TP53 (0.44) TP53LMNAALDH1A1HPGDNPSR1
SCHEMBL3493902 0.77 DHODH (0.36) TP53LMNAALDH1A1MAPTHTT
SCHEMBL3493772 0.76 USP30 (0.38) TP53LMNAKDM4EPKMHTT
SCHEMBL3493553 0.76 KAT7 (0.38)
SCHEMBL4982433 0.75 CPT2 (0.37) TP53LMNAALDH1A1MAPTHTT

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 TP53 4747/4885LMNA 201/4885ALDH1A1 1062/4885

“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.