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SCHEMBL6768765

SCHEMBL6768765

COc1ccc(NC(=O)CN2CCN(C[C@H](O)COc3ccccc3F)[C@@H](C)C2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ TSHR P16473 6/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ ADRB2 P07550 1/20 0.50
▸ ADRB1 P08588 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ ADRA2B P18089 1/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ SCN5A Q14524 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ BLM P54132 1/20 0.49

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
SCHEMBL6768950 0.96 KMT2A (0.52) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL6770107 0.92 MEN1 (0.51) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL6766441 0.90 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL6768724 0.90 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL6768874 0.90 KMT2A (0.56) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL6769824 0.89 MEN1 (0.58) ALDH1A1KMT2AMEN1TSHRCYP3A4
SCHEMBL6771057 0.89 MEN1 (0.59) ALDH1A1KMT2AMEN1TSHRCYP3A4
SCHEMBL6768966 0.89 KMT2A (0.51) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL6765928 0.88 KMT2A (0.55) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL6769335 0.88 MEN1 (0.54) ALDH1A1KDM4EKMT2AMEN1TSHR

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 ALDH1A1 35/4885KDM4E 4437/4885KMT2A 4291/4885

“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.