SCHEMBL4814489

SCHEMBL4814489

O=C1CCc2ccc(CN3CCCC3)cc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.56
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
HRH4 Q9H3N8 1/20 0.49
KDM4E B2RXH2 3/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PBRM1 Q86U86 1/20 0.46
PDE5A O76074 1/20 0.45
ACHE P22303 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4815397 0.88 LMNA (0.49) HRH3ALDH1A1PBRM1ACHE
SCHEMBL4815663 0.86 HRH3 (0.48) HRH3ALDH1A1HPGDPBRM1PDE5A
SCHEMBL4820190 0.86 KDM4E (0.48) HRH3ALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL4814854 0.86 CRBN (0.50) HRH3PBRM1TDP1
SCHEMBL4894879 0.86 ALDH1A1 (0.49) HRH3ALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL4814699 0.84 HRH3 (0.47) HRH3PBRM1ACHE
SCHEMBL4807925 0.83 KDM4E (0.48) HRH3ALDH1A1KDM4EPBRM1TDP1
SCHEMBL4818654 0.83 HRH3 (0.40) HRH3ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL4817712 0.81 HRH3 (0.53) HRH3
SCHEMBL4817811 0.81 HRH3 (0.44) HRH3ALDH1A1HTTKDM4EPBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 HRH3 2235/4885ALDH1A1 3901/4885SMN1; SMN2 4830/4885

“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.