SCHEMBL6398124

SCHEMBL6398124

O=C(C=Cc1ccccc1)NCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.58
▸ ACHE P22303 2/20 0.58
▸ DRD2 P14416 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ CCR2 P41597 5/20 0.52
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NLRP3 Q96P20 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MGLL Q99685 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
SCHEMBL6398120 1.00 BCHE (0.58) BCHEACHEDRD2DRD3CCR2
SCHEMBL6395931 0.86 BCHE (0.56) BCHEACHECCR2MAPTMEN1
SCHEMBL6395925 0.86 BCHE (0.56) BCHEACHECCR2MAPTMEN1
SCHEMBL6397433 0.82 ALDH1A1 (0.63) DRD2DRD3MEN1KMT2AMGLL
SCHEMBL10926545 0.79 MGLL (0.60) DRD2DRD3MAPTMEN1KMT2A
SCHEMBL11484182 0.78 KMT2A (0.63) BCHEACHEDRD2DRD3MEN1
SCHEMBL6396031 0.77 ACHE (0.66) BCHEACHEMEN1KMT2AMGLL
SCHEMBL3838939 0.77 KDM4E (0.51) DRD2DRD3MAPTMEN1KMT2A
SCHEMBL3838934 0.77 KDM4E (0.51) DRD2DRD3MAPTMEN1KMT2A
SCHEMBL3458107 0.77 NAMPT (0.64) DRD2DRD3CCR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030134840-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2003-07-17 — — US claimed
JP-2002540204-A — — 2002-11-26 — — JP claimed
EP-1165545-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-01-02 — — EP claimed
WO-2000058305-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-10-05 — — WO claimed
US-6946478-B2 Compounds ASTRAZENECA AB (SE) 2005-09-20 — — US disclosed
US-20030134840-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2003-07-17 — — US disclosed
US-6518286-B1 Piperidinyl compounds for modulation of immune and inflammatory responses in various diseases and disorders, including asthma ASTRAZENECA AB (SE) 2003-02-11 — — US disclosed
EP-1165545-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-01-02 — — EP disclosed
WO-2000058305-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-10-05 — — 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-20030134840-A1 Novel compounds RPS4X, RPS4Y1, CYP4B1 BCHE 2333/4885ACHE 3267/4885DRD2 450/4885

“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.

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