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SCHEMBL6765540

SCHEMBL6765540

C[C@H]1CN(CC(=O)Nc2ccc(N(C)C)cc2)CCN1C[C@H](O)COc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.52
▸ GFER P55789 3/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ LMNA P02545 2/20 0.45
▸ OGA O60502 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43

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
SCHEMBL6768874 0.92 KMT2A (0.56) CYP3A4TSHRMEN1KMT2AALDH1A1
SCHEMBL6769824 0.92 MEN1 (0.58) CYP3A4TSHRMEN1KMT2AALDH1A1
SCHEMBL6771057 0.92 MEN1 (0.59) CYP3A4TSHRMEN1KMT2AALDH1A1
SCHEMBL6770885 0.90 KMT2A (0.54) MAPTCYP3A4TSHRMEN1KMT2A
SCHEMBL6766441 0.89 ALDH1A1 (0.53) MAPTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6770001 0.89 MEN1 (0.53) MAPTCYP3A4TSHRMEN1KMT2A
SCHEMBL6770844 0.89 MEN1 (0.52) CYP3A4TSHRMEN1KMT2AALDH1A1
SCHEMBL6765612 0.88 MEN1 (0.51) CYP3A4TSHRMEN1KMT2AALDH1A1
SCHEMBL6769763 0.87 MEN1 (0.51) MAPTCYP3A4TSHRMEN1KMT2A
SCHEMBL6768950 0.87 KMT2A (0.52) MAPTCYP3A4TSHRMEN1KMT2A

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 MAPT 4806/4885GFER 4056/4885CYP3A4 3071/4885

“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.