SCHEMBL3369815

SCHEMBL3369815

CC1CC1c1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 0.61
TSHR P16473 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP3A4 P08684 3/20 0.51
CYP2C19 P33261 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPK1 P28482 1/20 0.51
MCL1 Q07820 1/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL15096157 0.81 MAPT (0.51) MAPK9TSHRNPSR1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL7089861 0.79 MAPT (0.50) MAPK9TSHRNPSR1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL7089859 0.79 MAPT (0.50) MAPK9TSHRNPSR1MAPTL3MBTL1
SCHEMBL24434915 0.79 MAPK9 (0.50) MAPK9TSHRNPSR1MAPTL3MBTL1
SCHEMBL109232 0.78 CYP3A4 (0.53) MAPK9TSHRNPSR1MAPTCYP3A4
SCHEMBL15091391 0.78 MAPT (0.60) MAPK9TSHRNPSR1MAPTL3MBTL1
SCHEMBL24564668 0.78 MAPT (0.60) MAPK9TSHRNPSR1MAPTL3MBTL1
SCHEMBL1260710 0.77 MAPK9 (0.77) MAPK9TSHRNPSR1MAPTCYP3A4
SCHEMBL17761560 0.76 MAPT (0.59) MAPK9TSHRNPSR1MAPTL3MBTL1
SCHEMBL15091787 0.76 L3MBTL1 (0.65) MAPK9TSHRNPSR1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2014-11-20 US disclosed
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY (US) 2013-07-11 US disclosed
EP-1401388-B1 FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2010-06-16 EP disclosed
US-7704942-B2 Fragrance and flavour compositions GIVAUDAN SA (CH) 2010-04-27 US disclosed
US-20050042255-A1 Fragrance and flavour compositions GIVAUDAN SA (CH) 2005-02-24 US disclosed
EP-1401388-A2 FRAGRANCE AND FLAVOUR COMPOSITIONS Givaudan SA (CH) 2004-03-31 EP disclosed
WO-2003002084-A2 FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2003-01-09 WO disclosed
EP-1269982-A1 Fragrance and flavour compositions Givaudan SA (CH) 2003-01-02 EP 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 (3 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-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS BRCA1, NAT1, AADAC MAPK9 3875/4885TSHR 423/4885NPSR1 3482/4885
US-20050042255-A1 Fragrance and flavour compositions C5, FAAH2, TRPA1 MAPK9 3225/4885TSHR 3237/4885NPSR1 376/4885
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT MAPK9 4307/4885TSHR 1034/4885NPSR1 1421/4885

“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.