SCHEMBL833457

SCHEMBL833457

O=CCCc1nc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
CHRM1 P11229 1/20 0.59
PDE10A Q9Y233 2/20 0.58
DDAH1 O94760 1/20 0.56
HTT P42858 1/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
BCHE P06276 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
SCHEMBL230157 0.83 POLB (0.84) POLBNPC1RAB9ACHRM1PDE10A
SCHEMBL8322003 0.83 POLB (0.66) POLBNPC1RAB9ACHRM1PDE10A
SCHEMBL9302629 0.83 POLB (0.66) POLBNPC1RAB9ACHRM1PDE10A
SCHEMBL5952740 0.82 DDAH1 (0.59) POLBNPC1RAB9ACHRM1PDE10A
SCHEMBL6244548 0.80 POLB (0.72) POLBNPC1RAB9ACHRM1PDE10A
SCHEMBL4716249 0.80 POLB (0.66) POLBNPC1RAB9ACHRM1PDE10A
SCHEMBL7854448 0.80 POLB (0.92) POLBNPC1RAB9ACHRM1PDE10A
SCHEMBL7006523 0.80 POLB (1.00) POLBNPC1RAB9ACHRM1PDE10A
SCHEMBL23073637 0.79 PDE10A (0.66) POLBNPC1RAB9APDE10AKDM4E
SCHEMBL9113349 0.79 POLB (0.60) POLBNPC1RAB9ACHRM1PDE10A

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-111655247-A Enhancing T cell function and treating T cell dysfunction disorders with a combination of a LSD inhibitor and a PD1 binding antagonist 艾比克斯治疗私人有限公司 2020-09-11 CN disclosed
EP-3509627-A1 LYSINE SPECIFIC HISTONE DEMETHYLASE-1 INHIBITORS AND USES THEREFOR University of Canberra (AU) 2019-07-17 EP disclosed
WO-2018045422-A1 LYSINE SPECIFIC HISTONE DEMETHYLASE-1 INHIBITORS AND USES THEREFOR UNIVERSITY OF CANBERRA (AU) 2018-03-15 WO disclosed
US-8143304-B2 (3-amino-1,2,3,4-tetrahydro-9 H-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2012-03-27 US disclosed
EP-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 EP disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-29 US disclosed
US-20090118200-A1 Proline bis-amide orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
EP-2051962-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-04-29 EP disclosed
CN-101410367-A Polyamines useful as anti-parasitic and anti-cancer therapeutics and as lysine-specific demethylase inhibitors UNIV WAYNE STATE (US) 2009-04-15 CN disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 US disclosed
WO-2008017989-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-02-14 WO disclosed
CN-1059445-C Novel derivatives of erythromycin, their preparation and their use as medicaments ROUSSEL UCLAF (FR) 2000-12-13 CN disclosed
CN-1126997-A Novel erythromycin derivatives, method for preparing same and use thereof as drugs ROUSSEL UCLAF (FR) 1996-07-17 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 (3 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-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A POLB 1149/4885NPC1 2736/4885RAB9A 61/4885
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives PTGDR, PTGER1, PTGIR POLB 4027/4885NPC1 2931/4885RAB9A 910/4885
US-20090118200-A1 Proline bis-amide orexin receptor antagonists HCRTR1, HCRTR2, NPSR1 POLB 4060/4885NPC1 1512/4885RAB9A 1361/4885

“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.