SCHEMBL4821094

SCHEMBL4821094

CN1CCN(Cc2ccc3c(c2)CCC3=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHKA P35790 6/20 0.49
LMNA P02545 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
MC4R P32245 1/20 0.47
HRH3 Q9Y5N1 3/20 0.47
KDR P35968 2/20 0.44
ACHE P22303 1/20 0.44
CA2 P00918 1/20 0.44
NCF1 P14598 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PARP1 P09874 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4820676 0.90 ALDH1A1 (0.49) HRH3ACHECASP1CASP7HSD17B10
SCHEMBL4815397 0.88 LMNA (0.49) CHKALMNAHDAC6MC4RHRH3
SCHEMBL4818998 0.84 SMN1; SMN2 (0.58) LMNAHRH3NCF1PARP1
SCHEMBL19752346 0.83 HDAC6 (0.57) CHKALMNAHDAC6HRH3KDR
SCHEMBL4817301 0.81 PARP1 (0.51) HRH3PARP1
SCHEMBL4817568 0.80 MEN1 (0.56) LMNAHSD17B10
SCHEMBL4819958 0.80 KCNJ1 (0.46) HRH3ACHE
SCHEMBL4814699 0.78 HRH3 (0.47) CHKALMNAHDAC6HRH3ACHE
SCHEMBL4894879 0.78 ALDH1A1 (0.49) HRH3ACHEHSD17B10
SCHEMBL4808335 0.77 KDM4E (0.56) HRH3

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 CHKA 208/4885LMNA 3952/4885HDAC6 649/4885

“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.