SCHEMBL6281284

SCHEMBL6281284

CCOC(=O)C1=C(NCCc2ccccc2)CCN(C(=O)c2ccc(C)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.44
ALDH1A1 P00352 6/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 3/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX12 P18054 1/20 0.41
CASP3 P42574 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL6253821 0.94 ALDH1A1 (0.43) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL6253517 0.93 MEN1 (0.44) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL6251570 0.92 CHRM5 (0.42) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL6251429 0.92 KMT2A (0.48) GRM1ALDH1A1LMNAHTTMEN1
SCHEMBL6334402 0.92 MAPT (0.46) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL6257706 0.91 MEN1 (0.46) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL6254042 0.89 KMT2A (0.51) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL6257181 0.86 ALDH1A1 (0.48) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL6333904 0.82 MAPT (0.43) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL6253202 0.78 NPC1 (0.46) ALDH1A1LMNAHTTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 GRM1 3484/4885ALDH1A1 399/4885LMNA 1603/4885

“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.