SCHEMBL15022007

SCHEMBL15022007

CC(C)CNC1C2CC3CC(C2)CC1C3

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.49
TDP1 Q9NUW8 1/20 0.45
HSD11B1 P28845 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL13207454 0.81 TDP1 (0.40) EPHX2TDP1HSD11B1SMN1; SMN2LMNA
SCHEMBL3014149 0.76 EPHX2 (0.36) EPHX2TDP1HSD11B1SMN1; SMN2LMNA
SCHEMBL6686034 0.75 L3MBTL1 (0.45) EPHX2TDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL3008613 0.74 HSD11B1 (0.36) EPHX2TDP1HSD11B1SMN1; SMN2LMNA
SCHEMBL1778693 0.74 SMN1; SMN2 (0.61) EPHX2TDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL9974906 0.74 SMN1; SMN2 (0.45) EPHX2TDP1HSD11B1SMN1; SMN2LMNA
SCHEMBL14573044 0.71 EPHX2 (0.53) EPHX2TDP1SMN1; SMN2LMNAALDH1A1
Hydrochloric Acid SCHEMBL28651729 0.70 EPHX2 (0.38) EPHX2TDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL1420883 0.70 SMN1; SMN2 (0.42) EPHX2SMN1; SMN2ALDH1A1
SCHEMBL630318 0.70 SMN1; SMN2 (0.42) EPHX2TDP1HSD11B1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328826-B1 NOVEL ADAMANTANE AND MEMANTINE DERIVATIVES AS PERIPHERAL NMDA RECEPTOR ANTAGONISTS INST NAT SANTE RECH MED (FR) 2020-02-26 EP disclosed
US-20180215699-A1 NOVEL ADAMANTANE AND MEMANTINE DERIVATIVES AS PERIPHERAL NMDA RECEPTOR ANTAGONISTS INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (INSERM) (FR) 2018-08-02 US disclosed
EP-3328826-A1 NOVEL ADAMANTANE AND MEMANTINE DERIVATIVES AS PERIPHERAL NMDA RECEPTOR ANTAGONISTS INSERM - Institut National de la Santé et de la Recherche Médicale (FR) 2018-06-06 EP disclosed
WO-2017017116-A1 NOVEL ADAMANTANE AND MEMANTINE DERIVATIVES AS PERIPHERAL NMDA RECEPTOR ANTAGONISTS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-02-02 WO disclosed
EP-2610248-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND TEIJIN PHARMA LTD (JP) 2016-06-08 EP disclosed
US-8916714-B2 Method for producing phenyl-substituted heterocyclic derivative by means of coupling method using palladium compound TEIJIN PHARMA LIMITED (JP) 2014-12-23 US disclosed
EP-2610248-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND Teijin Pharma Limited (JP) 2013-07-03 EP disclosed
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND TEIJIN PHARMA LIMITED (JP) 2013-06-20 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 (2 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-20180215699-A1 NOVEL ADAMANTANE AND MEMANTINE DERIVATIVES AS PERIPHERAL NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B EPHX2 3207/4885TDP1 2050/4885HSD11B1 2993/4885
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND XDH, AOC1, PAH EPHX2 495/4885TDP1 1332/4885HSD11B1 342/4885

“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.