SCHEMBL4817890

SCHEMBL4817890

CC1CCC(C(C)C)C(C(=O)Nc2ccccc2)C1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.73
EPHX1 P07099 1/20 0.51
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
KCNA5 P22460 1/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.45
DEGS1 O15121 1/20 0.45
P2RX4 Q99571 1/20 0.45

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
SCHEMBL10073491 1.00 TRPM8 (0.73) TRPM8EPHX1MAPTHPGDMEN1
SCHEMBL2628738 0.92 TRPM8 (0.70) TRPM8EPHX1MAPTHPGDMEN1
SCHEMBL4886771 0.88 TRPM8 (0.72) TRPM8EPHX1MAPTHPGDMEN1
SCHEMBL10073486 0.88 TRPM8 (0.75) TRPM8EPHX1MAPTHPGDMEN1
SCHEMBL2628672 0.88 TRPM8 (0.75) TRPM8EPHX1MAPTHPGDMEN1
SCHEMBL4817319 0.88 TRPM8 (0.75) TRPM8EPHX1MAPTHPGDMEN1
SCHEMBL4820732 0.88 TRPM8 (0.75) TRPM8EPHX1MAPTHPGDMEN1
SCHEMBL2628758 0.86 TRPM8 (0.73) TRPM8EPHX1MAPTHPGDMEN1
SCHEMBL2628747 0.86 TRPM8 (0.73) TRPM8EPHX1MAPTHPGDMEN1
SCHEMBL14593913 0.86 TRPM8 (0.73) TRPM8EPHX1MAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106659656-B Oral composition 狮王株式会社 2020-01-10 CN claimed
CN-106659656-B Oral composition 狮王株式会社 2020-01-10 CN disclosed
US-8426643-B2 Synthesis of cyclohexane derivatives useful as sensates in consumer products THE PROCTER & GAMBLE COMPANY (US) 2013-04-23 US disclosed
US-20100076080-A1 Synthesis of Cyclohexane Derivatives Useful as Sensates in Consumer Products THE PROCTER & GAMBLE COMPANY 2010-03-25 US disclosed
US-7417048-B2 Aryl-substituted derivatives of cycloalkyl and branched chain alkyl carboxylic acids useful as antinociceptive drugs for peripheral targets WEI EDWARD T 2008-08-26 US disclosed
US-20070053834-A1 Radioligands for the TRP-M8 receptor and methods therewith WEI EDWARD T 2007-03-08 US disclosed
US-7169377-B2 Radioligands for the TRP-M8 receptor and methods therewith WEI EDWARD T 2007-01-30 US disclosed
US-20050187211-A1 N-arylsalkyl-carboxamide compositions and methods WEI EDWARD T (US) 2005-08-25 US disclosed
US-20050159394-A1 Aryl-substituted derivatives of cycloalkyl and branched chain alkyl carboxylic acids useful as antinociceptive drugs for peripheral targets WEI EDWARD T (US) 2005-07-21 US disclosed
US-20050084447-A1 Radioligands for the TRP-M8 receptor and methods therewith WEI EDWARD T (US) 2005-04-21 US disclosed
EP-1311158-B1 COMPOSITION HAVING INSECT REPELLENT CHARACTERISTICS GIVAUDAN SA (CH) 2004-08-11 EP disclosed
US-20040028714-A1 Composition having insect repellent characteristics GIVAUDAN SA (CH) 2004-02-12 US 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 (6 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-20050084447-A1 Radioligands for the TRP-M8 receptor and methods therewith TRPM8, GPR68, OPRL1 TRPM8 1/4885EPHX1 4381/4885MAPT 1942/4885
US-20050187211-A1 N-arylsalkyl-carboxamide compositions and methods OPRL1, TRPV1, TRPA1 TRPM8 13/4885EPHX1 1355/4885MAPT 4273/4885
US-20070053834-A1 Radioligands for the TRP-M8 receptor and methods therewith GPR68, TRPM8, OPRL1 TRPM8 2/4885EPHX1 4778/4885MAPT 1052/4885
US-20050159394-A1 Aryl-substituted derivatives of cycloalkyl and branched chain alkyl carboxylic acids useful as antinociceptive drugs for peripheral targets OPRL1, OPRK1, OPRD1 TRPM8 588/4885EPHX1 3744/4885MAPT 3501/4885
US-20100076080-A1 Synthesis of Cyclohexane Derivatives Useful as Sensates in Consumer Products NISCH, TRPM4, TRPM8 TRPM8 3/4885EPHX1 528/4885MAPT 1429/4885
US-20040028714-A1 Composition having insect repellent characteristics SUV39H1, PNMT, SUV39H2 TRPM8 36/4885EPHX1 690/4885MAPT 201/4885

“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.