Sugi Predict

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SCHEMBL4862091

SCHEMBL4862091

C[C@H]1CN(CC(=O)NCc2ccc(Cl)cc2Cl)CCN1C[C@@H](O)COc1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CCR1 P32246 3/20 0.41
▸ EPHX2 P34913 3/20 0.40
▸ P2RX7 Q99572 3/20 0.40
▸ HRH1 P35367 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ FPR3 P25089 1/20 0.38
▸ GPR65 Q8IYL9 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38

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
SCHEMBL4864114 0.89 MEN1 (0.52) MEN1KMT2ACCR1L3MBTL1CYP2D6
SCHEMBL4858682 0.89 KMT2A (0.52) MEN1KMT2ACCR1CYP2D6
SCHEMBL4866490 0.89 KMT2A (0.52) MEN1KMT2ACCR1CYP2D6
SCHEMBL4859676 0.89 KMT2A (0.55) MEN1KMT2ACCR1CYP2D6
SCHEMBL4858231 0.88 MEN1 (0.50) MEN1KMT2ACCR1HTTL3MBTL1
SCHEMBL4866090 0.88 MEN1 (0.49) MEN1KMT2AHRH1HTR1AHTR7
SCHEMBL4864319 0.87 MEN1 (0.50) MEN1KMT2AUSP2HTTL3MBTL1
SCHEMBL4865355 0.86 KMT2A (0.60) MEN1KMT2ACYP2D6
SCHEMBL4865219 0.86 MEN1 (0.56) MEN1KMT2ACYP2D6
SCHEMBL4866603 0.86 MEN1 (0.52) MEN1KMT2ACCR1L3MBTL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 — — US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 — — EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 — — US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 — — US disclosed
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 — — EP disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 — — US disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 — — 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 (2 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-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MEN1 3200/4885KMT2A 3201/4885CCR1 3502/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MEN1 2899/4885KMT2A 3029/4885CCR1 3818/4885

“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.