SCHEMBL3011829

SCHEMBL3011829

CC1C(O)CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 3/20 0.56
▸ ACE2 Q9BYF1 2/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CTRB1 P17538 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51

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
SCHEMBL10310512 1.00 PREP (0.56) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL31211088 0.92 SMN1; SMN2 (0.53) PREPNPC1RAB9ASMN1; SMN2
SCHEMBL19419802 0.92 SMN1; SMN2 (0.53) PREPNPC1RAB9ASMN1; SMN2
SCHEMBL1642226 0.92 SMN1; SMN2 (0.53) PREPNPC1RAB9ASMN1; SMN2
SCHEMBL27766855 0.86 PREP (0.56) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL14635897 0.86 PREP (0.55) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL3088055 0.86 PREP (0.55) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL3076586 0.86 PREP (0.55) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL14635896 0.86 PREP (0.55) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL12612788 0.86 PREP (0.55) PREPACE2NPSR1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 — — US disclosed
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 — — US disclosed
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 — — US disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 — — EP disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 — — EP disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 — — US disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 — — US disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 — — US disclosed
EP-2391603-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-07 — — EP disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 — — US disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 — — US disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 — — US disclosed
WO-2010086251-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 — — WO disclosed
WO-2010086251-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 — — WO disclosed
CN-100567293-C Non-aryl-heterocycle NMDA/NR2B antagonist that N-replaces MERCK & CO INC (US) 2009-12-09 — — CN disclosed
CN-1503793-A N-substituted non-aryl-heterocyclic NMDA/NR2B antagonists — 2004-06-09 — — CN 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-20130158050-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C PREP 1116/4885ACE2 1360/4885NPSR1 54/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C PREP 1116/4885ACE2 1360/4885NPSR1 54/4885

“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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