SCHEMBL10102694

SCHEMBL10102694

CCc1ccc2c(c1)C1OCCC1C(c1ccccc1)N2

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 15/20 0.87
▸ GAA P10253 2/20 0.70
▸ NLRP3 Q96P20 1/20 0.56
▸ HNF4A P41235 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL12915326 0.93 KIF11 (1.00) KIF11GAANLRP3HNF4A
SCHEMBL12915322 0.93 KIF11 (1.00) KIF11GAANLRP3HNF4A
SCHEMBL12916153 0.85 KIF11 (0.88) KIF11GAANLRP3HNF4A
SCHEMBL12915482 0.85 GAA (0.66) KIF11GAASIGMAR1
SCHEMBL12751147 0.84 KIF11 (0.69) KIF11GAANLRP3HNF4ASIGMAR1
SCHEMBL12751149 0.84 KIF11 (0.69) KIF11GAANLRP3HNF4ASIGMAR1
SCHEMBL12915580 0.84 KIF11 (1.00) KIF11NLRP3HNF4ASIGMAR1
SCHEMBL28162395 0.84 KIF11 (0.86) KIF11GAANLRP3HNF4A
SCHEMBL12915472 0.82 KIF11 (0.88) KIF11NLRP3HNF4ASIGMAR1
SCHEMBL15321114 0.82 KIF11 (0.79) KIF11GAANLRP3HNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 — — US disclosed
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 — — US disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 — — US disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 — — US 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-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 KIF5A, KIF5C, KIF5B KIF11 22/4885GAA 2068/4885NLRP3 4614/4885

“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.

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