SCHEMBL4701898

SCHEMBL4701898

CCOC(=O)CCN1CCCc2c(O)cccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM2 P08172 8/20 0.41
CHRM4 P08173 8/20 0.41
CHRM1 P11229 8/20 0.41
CHRM3 P20309 8/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.39
RORC P51449 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4706248 0.82 HRH3 (0.47) NOTUMGAACHRM2CHRM4CHRM1
SCHEMBL14202152 0.82 KDM4E (0.55) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL21331595 0.81 CHRM2 (0.62) NOTUMGAACHRM2CHRM4CHRM1
SCHEMBL22129196 0.77 HRH3 (0.51) ALDH1A1HRH3
SCHEMBL22248030 0.76 NOTUM (0.66) NOTUMCHRM2CHRM4CHRM1CHRM3
SCHEMBL5940212 0.74 NOTUM (0.57) NOTUMGAACHRM2CHRM4CHRM1
SCHEMBL5940371 0.73 NOTUM (0.56) NOTUMGAACHRM2CHRM4CHRM1
SCHEMBL23147045 0.73 ALDH1A1 (0.40) NOTUMSMN1; SMN2ALDH1A1HRH3MAPT
SCHEMBL10648648 0.73 KMT2A (0.48) GAASMN1; SMN2ALDH1A1MAPT
SCHEMBL4703874 0.72 NPC1 (0.41) CHRM2CHRM4CHRM1CHRM3ALDH1A1

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
EP-1405848-B1 TETRAHYDROQUINOLINE DERIVATIVE COMPOUND AND DRUG CONTAINING THE COMPOUND AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2008-05-07 EP disclosed
US-6924295-B2 Tetrahydroquinoline derivative compound and drug containing the compound as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-08-02 US disclosed
US-20040171835-A1 Tetrahydroquinoline derivative compound and drug containing the compound as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-09-02 US disclosed
EP-1405848-A1 TETRAHYDROQUINOLINE DERIVATIVE COMPOUND AND DRUG CONTAINING THE COMPOUND AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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-20040171835-A1 Tetrahydroquinoline derivative compound and drug containing the compound as active ingredient SREBF1, NR1H2, NR1H3 NOTUM 944/4885GAA 664/4885SMN1; SMN2 4728/4885

“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.