SCHEMBL3909969

SCHEMBL3909969

CC1(c2cccc(Cl)c2)CN(Cc2ccccc2)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
CHRM2 P08172 2/20 0.47
CHRM3 P20309 2/20 0.47
GAA P10253 2/20 0.45
HSD11B1 P28845 1/20 0.43
CLPP Q16740 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CCR2 P41597 1/20 0.42
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL653269 0.76 GAA (0.57) SIGMAR1GAA
SCHEMBL3901219 0.74 MEN1 (0.58) GAAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL4757850 0.74 MEN1 (0.58) GAAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL4757845 0.74 MEN1 (0.58) GAAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL8959960 0.72 KMT2A (0.57) SIGMAR1GAAKDM4EMAPT
SCHEMBL4364213 0.72 GAA (0.53) SIGMAR1GAA
Hydrochloric Acid SCHEMBL9310932 0.72 KMT2A (0.59) SIGMAR1GAAKDM4EMAPT
Methane SCHEMBL726862 0.71 NR3C1 (0.48) SIGMAR1GAAALDH1A1NPC1RAB9A
SCHEMBL6581527 0.71 GAA (0.51) SIGMAR1GAAALDH1A1
SCHEMBL16903456 0.71 GAA (0.54) SIGMAR1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
US-7449490-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-11-11 US disclosed
US-7101905-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-09-05 US disclosed
US-20060183921-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-08-17 US disclosed
EP-1383463-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE King Pharmaceuticals, Inc. (US) 2004-01-28 EP disclosed
US-20030073733-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-04-17 US disclosed
WO-2002083083-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS, INC. (US) 2002-10-24 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-20060183921-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE SIGMAR1 88/4885CHRM2 1497/4885CHRM3 775/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE SIGMAR1 88/4885CHRM2 1497/4885CHRM3 775/4885

“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.