SCHEMBL1052899

SCHEMBL1052899

CC(C)(C)OC(=O)C1CCN(CCN)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.48
▸ GNAI3 P08754 2/20 0.45
▸ GNAO1 P09471 2/20 0.45
▸ GNAI1 P63096 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ RECQL P46063 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ F2 P00734 1/20 0.36
▸ PLG P00747 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36

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
SCHEMBL2799202 0.87 HRH3 (0.50) HRH3SMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL19931764 0.85 HRH3 (0.49) HRH3SMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL7454861 0.85 HRH3 (0.49) HRH3SMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL31075122 0.84 SMN1; SMN2 (0.50) HRH3SMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL9281583 0.84 SMN1; SMN2 (0.50) HRH3SMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL8829186 0.84 HRH3 (0.48) HRH3SMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL18915030 0.84 HRH3 (0.48) HRH3SMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL13965741 0.84 HRH3 (0.48) HRH3SMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL24709631 0.83 HRH3 (0.47) HRH3SMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL13975751 0.83 HRH3 (0.47) HRH3GNAI3GNAO1GNAI1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684631-A External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) inhibitors, compositions and uses thereof 中国科学院上海药物研究所 2024-09-24 — — CN disclosed
CN-112574230-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-10-28 — — CN disclosed
WO-2021057910-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2021-04-01 — — WO disclosed
WO-2021057910-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2021-04-01 — — WO disclosed
CN-112574230-A Peptidyl arginine deiminase inhibitors and uses thereof 南京药捷安康生物科技有限公司 2021-03-30 — — CN disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 — — US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 — — US disclosed
EP-2448926-A1 FLAVIN DERIVATIVES Biorelix, Inc. (US) 2012-05-09 — — EP disclosed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 — — WO disclosed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 — — WO disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 — — US disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 — — US disclosed
US-5646000-A FLUORESCENT PROBES FOR INDENTIFYING ANTIPLATELET AGENTS MERCK & CO., INC. (US) 1997-07-08 — — US disclosed
WO-1996010181-A1 COMPOUNDS AND METHODS FOR IDENTIFYING ACTIVATED PLATELETS MERCK & CO., INC. (US) 1996-04-04 — — 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 (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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS HRH3 4516/4885GNAI3 489/4885GNAO1 1003/4885

“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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