SCHEMBL997273

SCHEMBL997273

COC(=O)N1CC2(CC2)c2c([nH]c3cncnc23)C1c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KIF11 P52732 1/20 0.37
RPS6KB1 P23443 5/20 0.36
HCRTR2 O43614 1/20 0.36
OPRK1 P41145 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 1/20 0.34
GRIN2B Q13224 1/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 2/20 0.33
TSHR P16473 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
PAX8 Q06710 2/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AKT1 P31749 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
SCHEMBL997834 0.90 KIF11 (0.38) ALDH1A1KIF11RPS6KB1HCRTR2GRIN2B
SCHEMBL999724 0.88 KIF11 (0.39) ALDH1A1KIF11RPS6KB1HCRTR2OPRK1
SCHEMBL998170 0.87 ALDH1A1 (0.38) ALDH1A1KIF11RPS6KB1HCRTR2OPRK1
SCHEMBL998430 0.85 KIF11 (0.39) ALDH1A1KIF11HCRTR2OPRK1CYP1A2
SCHEMBL999494 0.84 ALDH1A1 (0.37) ALDH1A1KIF11HCRTR2OPRK1CYP1A2
SCHEMBL998769 0.83 KIF11 (0.41) ALDH1A1KIF11HCRTR2OPRK1CYP1A2
SCHEMBL1078686 0.83 KIF11 (0.48) KIF11NPSR1
SCHEMBL999146 0.82 KIF11 (0.43) KIF11PAX8
SCHEMBL998702 0.80 KIF11 (0.36) ALDH1A1KIF11RPS6KB1HCRTR2OPRK1
SCHEMBL1000865 0.79 ALDH1A1 (0.37) ALDH1A1KIF11RPS6KB1OPRK1CYP1A2

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 ALDH1A1 1422/4885KIF11 4760/4885RPS6KB1 2859/4885

“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.