SCHEMBL4883141

SCHEMBL4883141

O=C1CCN(c2cccc(F)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
GRM1 Q13255 2/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
MAPT P10636 1/20 0.39
HTR3E A5X5Y0 5/20 0.39
HTR3B O95264 5/20 0.39
HTR3A P46098 5/20 0.39
HTR3D Q70Z44 5/20 0.39
HTR3C Q8WXA8 5/20 0.39
ALDH1A1 P00352 2/20 0.38
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37

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
SCHEMBL14896676 0.81 ALOX5 (0.46) ALOX5MMP2MMP9MMP8MMP13
SCHEMBL14897578 0.81 ALOX5 (0.46) ALOX5MMP2MMP9MMP8MMP13
SCHEMBL31195791 0.79 HSD17B14 (0.47) ALOX5DRD2DRD3MAPTHTR3E
SCHEMBL12633158 0.79 PIM1 (0.40) PIM1PIM2HTR3EHTR3BHTR3A
SCHEMBL30454486 0.79 GRIN2D (0.59) ALOX5DRD2DRD3PIM1PIM2
SCHEMBL12804690 0.79 GRIN2D (0.59) ALOX5DRD2DRD3PIM1PIM2
SCHEMBL29393407 0.77 ALOX5 (0.44) ALOX5MMP2MMP9MMP8MMP13
SCHEMBL2371248 0.76 GAA (0.51) ALOX5DRD2DRD3PIM1MAPT
SCHEMBL30818693 0.76 GAA (0.51) ALOX5DRD2DRD3PIM1MAPT
SCHEMBL3632004 0.76 HTR3E (0.64) ALOX5HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 ALOX5 308/4885MMP2 1617/4885MMP9 844/4885

“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.