SCHEMBL6921050

SCHEMBL6921050

CN1C2CCC1c1c(n(CC(CC(=O)CN)c3ccc(Cl)cc3)c3ccc(Cl)cc13)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.38
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KCNH2 Q12809 2/20 0.36
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL6922003 0.93 HTR6 (0.38) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL6921310 0.91 HTR6 (0.41) HTR6CYP3A4CYP2C9CYP2C19PSEN1
SCHEMBL6921457 0.90 HTR6 (0.35) HTR6CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL14729252 0.89 BAZ2B (0.39) HTR6CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL6921324 0.87 HTR6 (0.37) HTR6CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL6922002 0.85 HTR6 (0.37) HTR6PTGDR2SLC6A4SLC6A3
SCHEMBL6921931 0.85 KRAS (0.35) HTR6CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL15086179 0.85 HTR6 (0.35) HTR6CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL6921076 0.84 FNTA (0.41) HTR6CYP3A4CYP2C9CYP2C19PTGDR2
SCHEMBL6920035 0.83 HTR6 (0.37) HTR6PTGDR2

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-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
WO-2011038164-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO 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-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C HTR6 22/4885CYP3A4 1191/4885CYP2C9 1260/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C HTR6 22/4885CYP3A4 1191/4885CYP2C9 1260/4885

“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.