SCHEMBL4894879

SCHEMBL4894879

CCN1CCN(Cc2ccc3c(c2)C(=O)CC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HRH3 Q9Y5N1 2/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
PBRM1 Q86U86 1/20 0.42
TSHR P16473 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BRD4 O60885 1/20 0.40
IL4I1 Q96RQ9 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACHE P22303 1/20 0.39
HTR6 P50406 1/20 0.39

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 0.90 LMNA (0.49) ALDH1A1HRH3PBRM1ACHEHTR6
SCHEMBL4814699 0.89 HRH3 (0.47) HRH3PBRM1IL4I1ACHE
SCHEMBL4820676 0.88 ALDH1A1 (0.49) ALDH1A1HRH3KDM4ETDP1TSHR
SCHEMBL4814489 0.86 HRH3 (0.56) ALDH1A1HRH3KDM4ETDP1PBRM1
SCHEMBL4807925 0.85 KDM4E (0.48) ALDH1A1HRH3KDM4ETDP1PBRM1
SCHEMBL4817712 0.82 HRH3 (0.53) HRH3MEN1KMT2A
SCHEMBL4820190 0.82 KDM4E (0.48) ALDH1A1HRH3KDM4EPBRM1TSHR
SCHEMBL4814854 0.82 CRBN (0.50) HRH3TDP1PBRM1IL4I1MEN1
SCHEMBL4818654 0.82 HRH3 (0.40) ALDH1A1HRH3KDM4EPBRM1TSHR
SCHEMBL4814820 0.81 FAAH (0.46) ALDH1A1HRH3KDM4ETDP1PBRM1

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 ALDH1A1 3901/4885HRH3 2235/4885KDM4E 1449/4885

“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.