SCHEMBL2493210

SCHEMBL2493210

CN1CCN(c2cc(F)c(OCc3ccccc3)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.51
HRH4 Q9H3N8 4/20 0.47
CHRNA7 P36544 2/20 0.46
HTR1A P08908 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43

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
SCHEMBL2478773 0.82 HTR6 (0.67) HTR6HRH4CHRNA7HTR1ASLC6A4
SCHEMBL2388900 0.82 HRH3 (0.58) HTR6HRH4HTR1AALDH1A1GAA
SCHEMBL25539406 0.81 HTR1A (0.48) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL14355885 0.80 HTR1A (0.68) HTR6HRH4CHRNA7HTR1ASLC6A2
SCHEMBL6201707 0.80 HTR1A (0.49) HTR6CHRNA7HTR1ASLC6A2SLC6A4
SCHEMBL30337054 0.79 HTR1A (0.67) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL23573654 0.79 GRM5 (0.53) HTR1ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL17659126 0.77 HRH3 (0.59) HTR6HRH4CHRNA7HTR1ASLC6A2
SCHEMBL11955481 0.77 DRD3 (0.43) HTR1AALDH1A1GAATSHRNPC1
SCHEMBL7034737 0.76 HTR6 (0.54) HTR6HRH4CHRNA7HTR1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 EP disclosed
CN-102316733-B Heterocyclic compounds and methods of use GENENTECH INC 2014-01-01 CN disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
CN-102316733-A HETEROCYCLIC COMPOUNDS AND METHODS OF USE INST MEDICAL W & E HALL 2012-01-11 CN disclosed
EP-2373163-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-12 EP disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 US disclosed
WO-2010080503-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 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 (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-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 HTR6 2259/4885HRH4 2547/4885CHRNA7 3304/4885

“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.