SCHEMBL5109838

SCHEMBL5109838

CN1CCC(c2ccc(F)c(C#N)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 2/20 0.50
▸ CHEK1 O14757 2/20 0.45
▸ NOS3 P29474 2/20 0.41
▸ NOS1 P29475 2/20 0.41
▸ NOS2 P35228 2/20 0.41
▸ LSS P48449 1/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ IKBKE Q14164 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ CTSC P53634 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ TNKS O95271 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ PLA2G7 Q13093 2/20 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
SCHEMBL31734535 0.85 PTP4A3 (0.38) CHEK1DRD3DRD2PLA2G7
SCHEMBL2926803 0.85 DRD2 (0.57) NOS3NOS1NOS2DRD3DRD2
SCHEMBL14498539 0.82 ABCC9 (0.39) DRD3DRD2PLA2G7
SCHEMBL5114389 0.82 QDPR (0.50) QDPRCHEK1NOS3NOS1NOS2
SCHEMBL13085465 0.80 QDPR (0.59) QDPRLSSDRD3HTR6TNKS
SCHEMBL22415913 0.78 CTSC (0.47) CHEK1DRD3HRH3CTSCDRD2
SCHEMBL14046655 0.78 QDPR (0.56) QDPRLSSDRD3HTR6HRH3
SCHEMBL24309316 0.76 QDPR (0.73) QDPRLSSDRD3HTR6DRD2
SCHEMBL14571703 0.76 QDPR (0.54) QDPRLSSHTR6DRD2TNKS
SCHEMBL29566666 0.76 QDPR (0.73) QDPRLSSDRD3HTR6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-10-30 — — 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 (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-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission SLC6A2, SLC18A2, PNMT QDPR 32/4885CHEK1 3802/4885NOS3 2558/4885

“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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