Sugi Predict

Sugi Predict / Compounds / SCHEMBL6770397

SCHEMBL6770397

SCHEMBL6770397

C[C@H]1CN(CC(=O)Nc2cccc3ccccc23)CCN1C[C@H](O)COc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ CYP2C19 P33261 3/20 0.48
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ADRB1 P08588 2/20 0.45
▸ ADRA2A P08913 2/20 0.45
▸ ADRA2B P18089 2/20 0.45
▸ ADRA2C P18825 2/20 0.45
▸ ADRA1A P35348 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ HTR2B P41595 2/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ SCN5A Q14524 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ BLM P54132 1/20 0.44

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
SCHEMBL4865691 1.00 MEN1 (0.52) MEN1KMT2ACYP2C19CYP3A4CYP2D6
SCHEMBL6765995 0.90 MEN1 (0.62) MEN1KMT2ACYP2C19CYP3A4CYP2D6
SCHEMBL4858361 0.90 MEN1 (0.49) MEN1KMT2ACYP2C19CYP3A4CYP2D6
SCHEMBL6765928 0.89 KMT2A (0.55) MEN1KMT2ACYP2C19CYP3A4CYP2D6
SCHEMBL4861022 0.89 MEN1 (0.49) MEN1KMT2ACYP2C19CYP3A4CYP2D6
SCHEMBL6768955 0.89 MEN1 (0.51) MEN1KMT2ACYP2C19CYP3A4CYP2D6
SCHEMBL4863973 0.89 MEN1 (0.51) MEN1KMT2ACYP2C19CYP3A4CYP2D6
SCHEMBL6770955 0.88 MEN1 (0.54) MEN1KMT2ACYP2C19CYP3A4CYP2D6
SCHEMBL6771057 0.86 MEN1 (0.59) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL6765839 0.86 KMT2A (0.51) MEN1KMT2ACYP2C19CYP3A4CYP2D6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677336-B2 PARTIAL FATTY ACID OXIDATION INHIBITORS; PROTECT SKELETAL MUSCLES AGAINST DAMAGE RESULTING FROM TRAUMA OR SYSTEMIC DISEASES, TREAT SHOCK CONDITIONS, PRESERVE DONOR TISSUE AND ORGANS USED IN TRANSPLANTS CV THERAPEUTICS, INC. 2004-01-13 — — US claimed
EP-1259493-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2002-11-27 — — EP claimed
US-20020016463-A1 Substituted piperazine compounds CV THERAPEUTICS, INC. 2002-02-07 — — US claimed
WO-2001062744-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 — — WO claimed
US-6677336-B2 PARTIAL FATTY ACID OXIDATION INHIBITORS; PROTECT SKELETAL MUSCLES AGAINST DAMAGE RESULTING FROM TRAUMA OR SYSTEMIC DISEASES, TREAT SHOCK CONDITIONS, PRESERVE DONOR TISSUE AND ORGANS USED IN TRANSPLANTS CV THERAPEUTICS, INC. 2004-01-13 — — US disclosed
EP-1259493-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2002-11-27 — — EP disclosed
US-20020016463-A1 Substituted piperazine compounds CV THERAPEUTICS, INC. 2002-02-07 — — US disclosed
WO-2001062744-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 — — WO 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-20020016463-A1 Substituted piperazine compounds ATP2A1, CPT1B, TNNC1 MEN1 4696/4885KMT2A 4291/4885CYP2C19 1185/4885

“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.