SCHEMBL5992122

SCHEMBL5992122

O=C(CI)N(c1ccccc1)C1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 2/20 0.74
ALDH1A1 P00352 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
KDM4E B2RXH2 1/20 0.74
NPC1 O15118 1/20 0.74
RAB9A P51151 1/20 0.74
PAX8 Q06710 1/20 0.74
TRPM8 Q7Z2W7 4/20 0.56
MLYCD O95822 1/20 0.50
CHRM3 P20309 4/20 0.49
CHRM2 P08172 3/20 0.49
OPRM1 P35372 7/20 0.48
SIGMAR1 Q99720 2/20 0.48
OPRL1 P41146 1/20 0.47
OPRD1 P41143 5/20 0.47
OPRK1 P41145 5/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL7905910 0.87 MITF (0.74) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5995175 0.85 MITF (0.72) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5992289 0.85 ALDH1A1 (1.00) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12679652 0.85 MITF (0.72) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18569422 0.85 KDM4E (0.72) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11816128 0.85 MITF (0.71) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12679651 0.84 MEN1 (0.70) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5993964 0.83 ALDH1A1 (0.97) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12679808 0.83 MITF (0.68) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6215102 0.82 KDM4E (0.68) MITFALDH1A1SMN1; SMN2MEN1KMT2A

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 3 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MITF 1473/4885ALDH1A1 459/4885SMN1; SMN2 4311/4885

“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.