SCHEMBL999724

SCHEMBL999724

COC(=O)N1CC2(CC2)c2c([nH]c3cccnc23)C1c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.39
SLC40A1 Q9NP59 1/20 0.38
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KCNMA1 Q12791 1/20 0.35
TNKS O95271 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 1/20 0.35
HCRTR2 O43614 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AVPR2 P30518 1/20 0.34
OXTR P30559 1/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL1000821 0.90 KIF11 (0.41) KIF11SLC40A1ALDH1A1RXFP1TNKS
SCHEMBL999494 0.89 ALDH1A1 (0.37) KIF11SLC40A1OPRK1ALDH1A1RXFP1
SCHEMBL997273 0.88 ALDH1A1 (0.37) KIF11OPRK1ALDH1A1CYP1A2CYP2D6
SCHEMBL1000865 0.86 ALDH1A1 (0.37) KIF11SLC40A1OPRK1ALDH1A1RXFP1
SCHEMBL999146 0.85 KIF11 (0.43) KIF11LMNATP53
SCHEMBL1000672 0.85 KIF11 (0.40) KIF11SLC40A1ALDH1A1TNKSCYP2D6
SCHEMBL998769 0.83 KIF11 (0.41) KIF11OPRK1ALDH1A1CYP1A2CYP2D6
SCHEMBL998430 0.83 KIF11 (0.39) KIF11OPRK1ALDH1A1CYP1A2CYP2D6
SCHEMBL997309 0.83 KIF11 (0.51) KIF11LMNATP53
SCHEMBL997758 0.79 ABCG2 (0.41) KIF11LMNATP53

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 4760/4885SLC40A1 464/4885OPRK1 1330/4885

“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.