SCHEMBL3783807

SCHEMBL3783807

CCOC(=O)N/N=C1\NCCS1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ INMT O95050 1/20 0.40
▸ GAA P10253 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MIF P14174 1/20 0.35
▸ CYP1A2 P05177 4/20 0.35
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL3519082 1.00 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1INMTGAAL3MBTL1
SCHEMBL29998081 0.71 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1GAAL3MBTL1MIF
SCHEMBL12012319 0.69 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1GAAL3MBTL1MIF
SCHEMBL9312404 0.67 INMT (0.42) ALDH1A1INMTGAAL3MBTL1LMNA
SCHEMBL12888282 0.65 — —
SCHEMBL11741680 0.64 TSHR (0.43) SMN1; SMN2ALDH1A1L3MBTL1POLBTSHR
SCHEMBL11741673 0.64 TSHR (0.43) SMN1; SMN2ALDH1A1L3MBTL1POLBTSHR
SCHEMBL31318648 0.62 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1GAAL3MBTL1CYP1A2
SCHEMBL9644530 0.62 — —
SCHEMBL10663041 0.61 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 — — US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 — — US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 — — US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 — — US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 — — US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 — — US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 — — US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 — — US disclosed
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 — — 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 (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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 SMN1; SMN2 196/4885ALDH1A1 1852/4885INMT 1700/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 SMN1; SMN2 196/4885ALDH1A1 1852/4885INMT 1700/4885

“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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