Sugi Predict

Sugi Predict / Compounds / SCHEMBL6770249

SCHEMBL6770249

SCHEMBL6770249

C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCN1C[C@H](O)COc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.56
▸ TP53 P04637 2/20 0.56
▸ ALDH1A1 P00352 7/20 0.55
▸ LMNA P02545 6/20 0.55
▸ HTT P42858 3/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ USP2 O75604 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ GAA P10253 2/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ MCOLN3 Q8TDD5 1/20 0.48
▸ MEN1 O00255 1/20 0.48

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
SCHEMBL6768966 0.92 KMT2A (0.51) MAPTTP53ALDH1A1LMNAHTT
SCHEMBL6770844 0.88 MEN1 (0.52) ALDH1A1LMNACYP3A4CYP2D6NPSR1
SCHEMBL6770885 0.88 KMT2A (0.54) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6769160 0.87 KMT2A (0.51) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6765474 0.87 KMT2A (0.53) ALDH1A1LMNAHTTMAPK1SMN1; SMN2
SCHEMBL6768874 0.86 KMT2A (0.56) ALDH1A1LMNACYP3A4CYP2D6NPSR1
SCHEMBL6768950 0.86 KMT2A (0.52) MAPTTP53ALDH1A1LMNAHTT
SCHEMBL6769824 0.86 MEN1 (0.58) ALDH1A1LMNACYP3A4CYP2D6NPSR1
SCHEMBL6771057 0.86 MEN1 (0.59) ALDH1A1LMNACYP3A4CYP2D6NPSR1
SCHEMBL6768765 0.85 ALDH1A1 (0.57) MAPTALDH1A1LMNAHTTSMN1; SMN2

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 6 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
US-20020016463-A1 Substituted piperazine compounds CV THERAPEUTICS, INC. 2002-02-07 — — US 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 MAPT 4806/4885TP53 3069/4885ALDH1A1 35/4885

“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.