SCHEMBL13490459

SCHEMBL13490459

COOSc1nc(C2CCN(Cc3ccccc3)CC2)ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.46
DRD4 P21917 11/20 0.46
DRD3 P35462 11/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AKT1 P31749 3/20 0.43
AKT2 P31751 3/20 0.43
IKZF2 Q9UKS7 1/20 0.43
ACHE P22303 2/20 0.42
USP30 Q70CQ3 1/20 0.41
BCHE P06276 1/20 0.41
HTR2B P41595 1/20 0.40

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
SCHEMBL13490647 0.78 DRD2 (0.51) DRD2DRD4DRD3IKZF2ACHE
SCHEMBL14544022 0.76 DRD2 (0.51) DRD2DRD4DRD3AKT1AKT2
SCHEMBL13490449 0.75 DRD2 (0.59) DRD2DRD4DRD3ACHEBCHE
SCHEMBL13490648 0.72 DRD2 (0.60) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL13490557 0.71 DRD2 (0.59) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL171521 0.70 DRD2 (0.53) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL13490669 0.69 DRD2 (0.56) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL171620 0.69 HPGDS (0.55) DRD2DRD4DRD3ACHEUSP30
SCHEMBL6195713 0.68 DRD4 (0.59) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL13490463 0.68 DRD2 (0.51) DRD2DRD4DRD3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 US 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-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 DRD2 130/4885DRD4 112/4885DRD3 448/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 DRD2 112/4885DRD4 107/4885DRD3 407/4885

“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.