SCHEMBL14935178

SCHEMBL14935178

COc1ccc(CN2CCOC(C3CCCCC3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 5/20 0.46
▸ GAA P10253 2/20 0.44
▸ DRD4 P21917 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP3A4 P08684 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
SCHEMBL4510850 0.80 GAA (0.48) GRM2GAAALDH1A1MEN1KMT2A
SCHEMBL16466966 0.79 GAA (0.49) GRM2GAADRD4SMN1; SMN2DRD2
SCHEMBL4719277 0.77 DRD4 (0.46) GRM2GAADRD4SMN1; SMN2DRD2
SCHEMBL2016909 0.76 GAA (0.49) GRM2GAAALDH1A1MMP1MMP3
SCHEMBL29079618 0.75 GRM2 (0.50) GRM2GAADRD4SMN1; SMN2MEN1
SCHEMBL537663 0.75 GRM2 (0.50) GRM2GAADRD4SMN1; SMN2MEN1
SCHEMBL8562128 0.74 GAA (0.56) GRM2GAASMN1; SMN2ALDH1A1MMP1
SCHEMBL8562132 0.74 GAA (0.56) GRM2GAASMN1; SMN2ALDH1A1MMP1
SCHEMBL5638987 0.74 GAA (0.49) GRM2GAAALDH1A1MMP1MMP3
SCHEMBL3264320 0.74 GAA (0.52) GRM2GAAALDH1A1MMP1MMP3

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-9498483-B2 2,3,5-trisubstituted thiophene compounds and uses thereof NOVARTIS AG (CH) 2016-11-22 — — US disclosed
US-20150224109-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof NOVARTIS AG (CH) 2015-08-13 — — US disclosed
US-9040690-B2 2,3,5-trisubstituted thiophene compounds and uses thereof NOVARTIS AG (CH) 2015-05-26 — — US disclosed
US-20130123252-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof NOVARTIS AG (CH) 2013-05-16 — — 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 (2 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-20150224109-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof TPMT, CYP3A5, CYP11B2 GRM2 2108/4885GAA 428/4885DRD4 1960/4885
US-20130123252-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof TPMT, CYP3A5, CYP11B2 GRM2 2108/4885GAA 428/4885DRD4 1960/4885

“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.

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