SCHEMBL998327

SCHEMBL998327

CC(=O)N1CC2(CC2)c2c([nH]c3ccncc23)C1c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.42
MAPT P10636 2/20 0.38
ACHE P22303 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 2/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.33
PAX8 Q06710 2/20 0.33
PDE5A O76074 1/20 0.33

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
SCHEMBL999201 0.93 KIF11 (0.40) KIF11MAPTRXFP1CYP2C19CYP3A4
SCHEMBL998769 0.90 KIF11 (0.41) KIF11MAPTACHECYP2C19CYP3A4
SCHEMBL2035529 0.87 KIF11 (0.47) KIF11MAPTSMN1; SMN2TP53
SCHEMBL999416 0.87 KIF11 (0.52) KIF11MAPTKDM4ETP53LMNA
SCHEMBL996806 0.85 KIF11 (0.41) KIF11MAPTCYP2C19CYP3A4CYP2D6
SCHEMBL2033145 0.85 KIF11 (0.43) KIF11RXFP1CYP2D6ALDH1A1TDP1
SCHEMBL2032595 0.85 KIF11 (0.45) KIF11MAPTSMN1; SMN2KDM4ETP53
SCHEMBL999019 0.84 KIF11 (0.38) KIF11RXFP1CYP2D6ALDH1A1
SCHEMBL997592 0.84 RXFP1 (0.39) KIF11MAPTRXFP1CYP3A4CYP2D6
SCHEMBL997606 0.83 KIF11 (0.50) KIF11MAPTKDM4ETP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS KIF11 4760/4885MAPT 4705/4885ACHE 3577/4885

“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.