SCHEMBL899802

SCHEMBL899802

NC1CC1c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 9/20 0.46
MAOA P21397 7/20 0.46
KDM1A O60341 7/20 0.46
CYP2C19 P33261 4/20 0.46
CYP2B6 P20813 3/20 0.46
CYP1A2 P05177 3/20 0.46
LMNA P02545 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
CYP2A6 P11509 2/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
SLC6A2 P23975 1/20 0.46

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
SCHEMBL28168522 1.00 NPC1 (0.47) NPC1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL27482870 0.80 DPP4 (0.44) NPC1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL27483250 0.80 DPP4 (0.44) NPC1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL27527180 0.80 DPP4 (0.44) NPC1ALDH1A1MAPTRAB9AKMT2A
Ethoxycarbonyl Group SCHEMBL28021640 0.80 KDM4E (0.41) NPC1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL12504880 0.79 ALDH1A1 (0.41) NPC1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL24868506 0.78 ALDH1A1 (0.42) NPC1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL12143649 0.78 ALDH1A1 (0.42) NPC1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL19013047 0.78 ALDH1A1 (0.42) NPC1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL369985 0.78 ALDH1A1 (0.42) NPC1ALDH1A1MAPTRAB9AKMT2A

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3981395-A1 LYSINE DEMETHYLASE INHIBITORS FOR MYELOPROLIFERATIVE DISORDERS Oryzon Genomics, S.A. (ES) 2022-04-13 EP claimed
EP-2750671-A2 LYSINE DEMETHYLASE INHIBITORS FOR THROMBOSIS AND CARDIOVASCULAR DISEASES Oryzon Genomics, S.A. (ES) 2014-07-09 EP claimed
WO-2012156537-A2 LYSINE DEMETHYLASE INHIBITORS FOR THROMBOSIS AND CARDIOVASCULAR DISEASES ORYZON GENOMICS, S.A. (ES) 2012-11-22 WO claimed
EP-3981395-A1 LYSINE DEMETHYLASE INHIBITORS FOR MYELOPROLIFERATIVE DISORDERS Oryzon Genomics, S.A. (ES) 2022-04-13 EP disclosed
EP-2712315-B1 LYSINE DEMETHYLASE INHIBITORS FOR MYELOPROLIFERATIVE DISORDERS ORYZON GENOMICS SA (ES) 2021-11-24 EP disclosed
US-9908859-B2 Lysine demethylase inhibitors for myeloproliferative disorders ORYZON GENOMICS, S.A. (ES) 2018-03-06 US disclosed
US-9790196-B2 Lysine demethylase inhibitors for diseases and disorders associated with Flaviviridae ORYZON GENOMICS S.A. (ES) 2017-10-17 US disclosed
CN-107106517-A Compositions for modulating cancer stem cells and uses thereof 堪培拉大学 2017-08-29 CN disclosed
US-20170209432-A1 LYSINE DEMETHYLASE INHIBITORS FOR MYELOPROLIFERATIVE OR LYMPHOPROLIFERATIVE DISEASES OR DISORDERS ORYZON GENOMICS SA (ES) 2017-07-27 US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
WO-2012156531-A2 LYSINE DEMETHYLASE INHIBITORS FOR INFLAMMATORY DISEASES OR CONDITIONS ORYZON GENOMICS, S.A. (ES) 2012-11-22 WO disclosed
CN-102725291-A Bicyclic pyridines and analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2012-10-10 CN disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
EP-2493888-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-09-05 EP disclosed
WO-2012107499-A1 LYSINE DEMETHYLASE INHIBITORS FOR MYELOPROLIFERATIVE OR LYMPHOPROLIFERATIVE DISEASES OR DISORDERS ORYZON GENOMICS S.A. (ES) 2012-08-16 WO disclosed
WO-2012072713-A2 LYSINE DEMETHYLASE INHIBITORS FOR DISEASES AND DISORDERS ASSOCIATED WITH FLAVIVIRIDAE ORYZON GENOMICS, S.A. (ES) 2012-06-07 WO disclosed
WO-2012042042-A1 SELECTIVE LSD1 AND DUAL LSD1/MAO-B INHIBITORS FOR MODULATING DISEASES ASSOCIATED WITH ALTERATIONS IN PROTEIN CONFORMATION ORYZON GENOMICS S.A. (ES) 2012-04-05 WO disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 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-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NPC1 3795/4885ALDH1A1 2260/4885MAPT 795/4885
US-20170209432-A1 LYSINE DEMETHYLASE INHIBITORS FOR MYELOPROLIFERATIVE OR LYMPHOPROLIFERATIVE DISEASES OR DISORDERS KDM1B, KDM1A, KDM2A NPC1 2233/4885ALDH1A1 1637/4885MAPT 3526/4885

“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.