SCHEMBL999201

SCHEMBL999201

CC(=O)N1CC2(CC2)c2c([nH]c3cnccc23)C1c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.40
ROCK2 O75116 1/20 0.37
MAPT P10636 1/20 0.36
CHUK O15111 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PAX8 Q06710 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
TP53 P04637 2/20 0.33
CYP2C9 P11712 1/20 0.33
HCRTR2 O43614 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 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
SCHEMBL998327 0.93 KIF11 (0.42) KIF11MAPTRXFP1PAX8CYP2C19
SCHEMBL998430 0.90 KIF11 (0.39) KIF11ROCK2MAPTCHUKPAX8
SCHEMBL2033145 0.87 KIF11 (0.43) KIF11RXFP1PAX8CYP2D6TP53
SCHEMBL999416 0.87 KIF11 (0.52) KIF11MAPTTP53
SCHEMBL997400 0.85 PAX8 (0.42) KIF11ROCK2MAPTPAX8CYP2C19
SCHEMBL2035529 0.85 KIF11 (0.47) KIF11MAPTSMN1; SMN2TP53
SCHEMBL997834 0.84 KIF11 (0.38) KIF11MAPTRXFP1TP53HCRTR2
SCHEMBL997592 0.84 RXFP1 (0.39) KIF11MAPTRXFP1CYP3A4CYP2D6
SCHEMBL997606 0.83 KIF11 (0.50) KIF11MAPTTP53
SCHEMBL997180 0.83 KIF11 (0.50) KIF11MAPTTP53

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 4760/4885ROCK2 4107/4885MAPT 4705/4885

“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.