SCHEMBL6922003

SCHEMBL6922003

COc1ccc(C(CC(=O)CN)Cn2c3c(c4cc(Cl)ccc42)C2CCC(C3)N2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.38
ALDH1A1 P00352 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CCR2 P41597 1/20 0.33

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
SCHEMBL6921050 0.93 HTR6 (0.38) HTR6SLC6A4SLC6A3PTGDR2PSEN1
SCHEMBL6921076 0.92 FNTA (0.41) HTR6ALDH1A1SLC6A4SLC6A3PTGDR2
SCHEMBL14729251 0.90 FNTA (0.38) HTR6SLC6A4SLC6A3FNTAFNTB
SCHEMBL6920852 0.89 HTR6 (0.37) HTR6ALDH1A1SLC6A4SLC6A3PTGDR2
SCHEMBL6921457 0.86 HTR6 (0.35) HTR6ALDH1A1PTGDR2PSEN1PSEN2
SCHEMBL6921310 0.85 HTR6 (0.41) HTR6PTGDR2PSEN1PSEN2APH1B
SCHEMBL13834550 0.83 HTR6 (0.40) HTR6ALDH1A1PTGDR2FNTAFNTB
SCHEMBL6921324 0.83 HTR6 (0.37) HTR6ALDH1A1SLC6A4SLC6A3PSEN1
SCHEMBL14729252 0.82 BAZ2B (0.39) HTR6SLC6A4SLC6A3
SCHEMBL6922002 0.81 HTR6 (0.37) HTR6SLC6A4SLC6A3PTGDR2

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 22/4885ALDH1A1 1335/4885SLC6A4 120/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C HTR6 22/4885ALDH1A1 1335/4885SLC6A4 120/4885

“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.