SCHEMBL7081990

SCHEMBL7081990

CCOC(=O)C(=O)CN1CCCc2ccccc21.c1cc2c3c(c1)ccn3CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
GAA P10253 4/20 0.45
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL1395834 0.86 CHRM2 (0.58) ALDH1A1GAACHRM2CHRM4CHRM1
SCHEMBL2260669 0.83 CHRM2 (0.56) ALDH1A1GAACHRM2CHRM4CHRM1
SCHEMBL5250240 0.75 CHRM2 (0.60) ALDH1A1GAACHRM2CHRM4CHRM1
SCHEMBL20340248 0.72 ALDH1A1 (0.59) ALDH1A1GAACHRM2CHRM4CHRM1
Ethoxycarbonyl Group SCHEMBL27490857 0.72 HTR1A (0.38) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL30955312 0.71 MCL1 (0.44) ALDH1A1HPGDTSHRUSP2
SCHEMBL1395813 0.71 MCL1 (0.44) ALDH1A1HPGDTSHRUSP2
SCHEMBL21331595 0.68 CHRM2 (0.62) ALDH1A1GAACHRM2CHRM4CHRM1
SCHEMBL4035020 0.68 ALDH1A1 (0.52) ALDH1A1GAACHRM2CHRM4CHRM1
SCHEMBL9974151 0.68 CHRM2 (0.68) ALDH1A1GAACHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 US 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-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 ALDH1A1 1132/4885GAA 1094/4885CHRM2 4745/4885

“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.