SCHEMBL440911

SCHEMBL440911

CCc1c(Cl)nc(C)c(C)c1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL25675415 0.77 CDC7 (0.34) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL29143502 0.77 TYMP (0.39)
SCHEMBL1586348 0.72 CYP1A2 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL5844067 0.72 PDK2 (0.37) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL15201046 0.71 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL20349181 0.71
SCHEMBL857094 0.71 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL25675417 0.71 TLR8 (0.31) KDM4E
SCHEMBL439985 0.71 PDE10A (0.39) KDM4E
SCHEMBL30888304 0.70

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-20120065219-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-03-15 US disclosed
US-8076350-B2 3H-(4's)-1'-azaspiro[benzofuran-2,4']-tricyclo[3.3.1.13,7]decane; for therapy of memory disorder, cognitive disorder, neurodegeneration, and neurodevelopmental disorder; attention deficit disorder, attention deficit hyperactivity disorder (ADHD), Alzheimer's disease (AD), mild cognitive impairment ABBOTT LABORATORIES (US) 2011-12-13 US disclosed
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-26 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-20120065219-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE NR3C2, REN, GNE CYP1A2 92/4885CYP2D6 45/4885CYP2C9 143/4885
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE NR3C2, REN, GNE CYP1A2 95/4885CYP2D6 47/4885CYP2C9 132/4885

“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.