SCHEMBL21057421

SCHEMBL21057421

CC1CCC(C)(C)CN1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
ACHE P22303 1/20 0.44
SIGMAR1 Q99720 5/20 0.43
TMEM97 Q5BJF2 1/20 0.43
GAA P10253 1/20 0.41
GRM6 O15303 1/20 0.40
GBA1 P04062 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL28711007 0.84 MAPT (0.45) MAPTACHESIGMAR1TMEM97
SCHEMBL4391046 0.83 MAPT (0.47) MAPTACHESIGMAR1TMEM97GAA
SCHEMBL4401478 0.81 MAPT (0.43) MAPTACHESIGMAR1TMEM97
SCHEMBL5782146 0.80 GRM6 (0.41) ACHESIGMAR1TMEM97GAAGRM6
SCHEMBL5782725 0.78 MAOB (0.52) GAAGRM6
SCHEMBL5782723 0.78 MAOB (0.52) GAAGRM6
SCHEMBL6853255 0.75 ACHE (0.56) MAPTACHESIGMAR1GBA1KDM4E
SCHEMBL20588229 0.75 ACHE (0.56) MAPTACHESIGMAR1GBA1KDM4E
SCHEMBL24801996 0.73 MAPT (0.44) MAPTACHESIGMAR1TMEM97GAA
SCHEMBL24802004 0.73 MAPT (0.44) MAPTACHESIGMAR1TMEM97GAA

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
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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 (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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A MAPT 2898/4885ACHE 244/4885SIGMAR1 2924/4885

“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.