SCHEMBL6253517

SCHEMBL6253517

CCOC(=O)C1=C(NCCc2ccccc2)CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.42
CHRM2 P08172 4/20 0.41
CHRM4 P08173 4/20 0.41
CHRM5 P08912 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 4/20 0.41
CYP2C9 P11712 1/20 0.41
PTGER2 P43116 1/20 0.41
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP3 P42574 2/20 0.40

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 0.93 ALDH1A1 (0.43) MEN1KMT2AALDH1A1CYP2C9PTGER2
SCHEMBL6281284 0.93 GRM1 (0.44) MEN1KMT2AALDH1A1CHRM2CHRM4
SCHEMBL6251570 0.91 CHRM5 (0.42) MEN1KMT2AALDH1A1CHRM5CHRM1
SCHEMBL6251429 0.91 KMT2A (0.48) MEN1KMT2AALDH1A1CHRM5CHRM1
SCHEMBL6334402 0.91 MAPT (0.46) MEN1KMT2AALDH1A1CHRM2CHRM4
SCHEMBL6257706 0.90 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6254042 0.88 KMT2A (0.51) MEN1KMT2AALDH1A1CHRM5CHRM1
SCHEMBL6257181 0.85 ALDH1A1 (0.48) MEN1KMT2AALDH1A1CYP2C9LMNA
SCHEMBL6333904 0.81 MAPT (0.43) MEN1KMT2AALDH1A1CHRM5CHRM1
SCHEMBL6253202 0.77 NPC1 (0.46) ALDH1A1CHRM5CHRM1LMNAMAPT

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 MEN1 4471/4885KMT2A 3796/4885ALDH1A1 399/4885

“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.