SCHEMBL5995153

SCHEMBL5995153

O=C(COc1ccc(F)cc1)N(c1ccccc1)C1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.67
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MEN1 O00255 3/20 0.58
RAB9A P51151 2/20 0.58
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
MITF O75030 1/20 0.58
PAX8 Q06710 1/20 0.58
TACR1 P25103 1/20 0.54
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
AGTR2 P50052 1/20 0.49
POLB P06746 1/20 0.47
AGER Q15109 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
SCHEMBL5992625 0.91 TRPM8 (0.70) TRPM8ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL5995850 0.88 TRPM8 (0.64) TRPM8ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL5992993 0.88 TRPM8 (0.71) TRPM8ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2718698 0.88 TRPM8 (0.67) TRPM8ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL10271042 0.83 TRPM8 (0.71) TRPM8ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL5992495 0.81 TRPM8 (0.65) TRPM8ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL10270943 0.80 TRPM8 (1.00) TRPM8ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL5994608 0.78 ALDH1A1 (0.58) TRPM8ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL7905910 0.75 MITF (0.74) TRPM8ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL5992122 0.75 MITF (0.74) TRPM8ALDH1A1KMT2ASMN1; SMN2MEN1

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 TRPM8 2451/4885ALDH1A1 459/4885KMT2A 1244/4885
US-20020082257-A1 ABCA-1 Elevating compounds ABCD3, ABCE1, ABCB4 TRPM8 3147/4885ALDH1A1 399/4885KMT2A 3796/4885

“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.