SCHEMBL998412

SCHEMBL998412

O=C(Nc1ccccc1)N1CCc2c([nH]c3ccccc23)C1c1cccc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
NPSR1 Q6W5P4 1/20 0.64
LMNA P02545 2/20 0.64
TP53 P04637 4/20 0.61
ABCB1 P08183 7/20 0.58
ABCG2 Q9UNQ0 7/20 0.58
KIF11 P52732 3/20 0.58
SHMT2 P34897 1/20 0.56
TRPV1 Q8NER1 1/20 0.55

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
SCHEMBL997330 0.92 TP53 (0.66) MAPTNPSR1LMNATP53ABCB1
SCHEMBL999105 0.91 TP53 (0.64) MAPTNPSR1LMNATP53ABCB1
SCHEMBL9928868 0.90 LMNA (0.74) MAPTNPSR1LMNATP53ABCB1
SCHEMBL999319 0.90 TP53 (0.58) MAPTNPSR1LMNATP53ABCB1
SCHEMBL1000685 0.87 TP53 (0.61) MAPTNPSR1LMNATP53ABCB1
SCHEMBL997869 0.85 KIF11 (0.79) MAPTLMNATP53ABCB1ABCG2
SCHEMBL12925704 0.84 LMNA (0.51) MAPTNPSR1LMNATP53ABCB1
Hydrochloric Acid SCHEMBL997978 0.83 LMNA (0.50) MAPTNPSR1LMNATP53ABCB1
SCHEMBL14627230 0.83 ABCG2 (0.70) MAPTNPSR1LMNATP53ABCB1
SCHEMBL9928894 0.82 PDE5A (0.67) MAPTNPSR1LMNATP53SHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US claimed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP claimed
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
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 MAPT 4705/4885NPSR1 275/4885LMNA 528/4885

“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.