SCHEMBL5991044

SCHEMBL5991044

S=CN(Cc1ccccc1)N(c1ccccc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 1/20 0.46
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
AGER Q15109 3/20 0.39
MTNR1A P48039 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5995423 0.85 G6PC1 (0.46) G6PC1HRH4HRH3AGERMTNR1A
SCHEMBL3247714 0.76 G6PC1 (0.51) G6PC1HRH4HRH3AGERMTNR1A
SCHEMBL5993497 0.76 LMNA (0.43) G6PC1TRPM8KDM4EMEN1ALDH1A1
SCHEMBL10891206 0.73 G6PC1 (0.50) G6PC1HRH4HRH3AGERMTNR1A
SCHEMBL3252099 0.71 LMNA (0.46) G6PC1TRPM8KDM4EMEN1ALDH1A1
SCHEMBL7603670 0.71 HRH3 (0.73) G6PC1HRH4HRH3AGERKDM4E
SCHEMBL7885548 0.70 G6PC1 (0.54) G6PC1HRH4HRH3AGERMTNR1A
SCHEMBL515999 0.70 G6PC1 (0.54) G6PC1HRH4HRH3AGERMTNR1A
SCHEMBL11115148 0.70 SLC6A2 (0.56) G6PC1HRH4HRH3AGERMTNR1A
SCHEMBL10709827 0.70 SLC6A2 (0.56) G6PC1HRH4HRH3AGERMTNR1A

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
US-6995285-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2006-02-07 US disclosed
US-20050267215-A1 ATP binding cassette transporter 1 (ABCA-1); increases high density lipoprotein (HDL) levels; use treating coronary artery disease; N-phenyl-N-(2-hydroxy-cyclohexyl)-2-(1,3,3-trimethyl-bicyclo[2.2.1]hept-2-ylamino)acetamide for example CV THERAPEUTICS, INC. 2005-12-01 US disclosed
US-6713650-B2 ELEVATES ATP BINDING CASSETTE TRANSPORTER 1 EXPRESSION THEREBY INCREASING EFFLUX OF CHOLESTEROL FROM CELLS BY ACTIVE TRANSFER INTO HIGH DENSITY LIPOPROTEINS CV THERAPEUTICS, INC. 2004-03-30 US disclosed
EP-1377283-A2 COMPOUNDS OF THE FORMULA R1-X-Y-Z-NR2R3 AS ABCA-1 ELEVATING AGENTS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2004-01-07 EP disclosed
WO-2003103651-A1 COMPOUNDS OF THE FORMU;A R1-X-Y-Z-NR2R3 AS ABCA-1 ELEVATING AGENTS AGAINST CAD OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-12-18 WO disclosed
US-20020082257-A1 ABCA-1 Elevating compounds CV THERAPEUTICS, INC. 2002-06-27 US disclosed
WO-2002046141-A2 COUMPOUNDS OF THE FORMULA R1-X-Y-Z-NR2R3 AS ABCA-1 ELEVATING AGENTS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2002-06-13 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-20050267215-A1 ATP binding cassette transporter 1 (ABCA-1); increases high density lipoprotein (HDL) levels; use treating coronary artery disease; N-phenyl-N-(2-hydroxy-cyclohexyl)-2-(1,3,3-trimethyl-bicyclo[2.2.1]hept-2-ylamino)acetamide for example ABCD3, ABCF1, ABCC2 G6PC1 2682/4885HRH4 1462/4885HRH3 1610/4885
US-20020082257-A1 ABCA-1 Elevating compounds ABCD3, ABCE1, ABCB4 G6PC1 1086/4885HRH4 4305/4885HRH3 4520/4885

“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.