SCHEMBL6224747

SCHEMBL6224747

Brc1ccc(CNC2CCCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.72
POLB P06746 1/20 0.62
HDAC1 Q13547 1/20 0.61
ACHE P22303 2/20 0.57
CXCR4 P61073 2/20 0.54
CXCL12 P48061 1/20 0.54
BCHE P06276 1/20 0.50
BACE1 P56817 1/20 0.50
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
KDM1A O60341 1/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 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
SCHEMBL11431895 0.98 HRH3 (0.69) HRH3POLBHDAC1ACHECXCR4
SCHEMBL8806696 0.95 HRH3 (0.83) HRH3POLBHDAC1ACHECXCR4
SCHEMBL23124659 0.94 HRH3 (0.63) HRH3POLBHDAC1ACHECXCR4
SCHEMBL8812297 0.90 HRH3 (0.60) HRH3POLBHDAC1ACHECXCR4
SCHEMBL1241255 0.90 RAB9A (0.58) HRH3POLBHDAC1ACHEBCHE
SCHEMBL10953965 0.90 HRH3 (0.88) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL3899511 0.82 KDM1A (0.56) HRH3POLBHDAC1ACHEBCHE
SCHEMBL3899502 0.82 KDM1A (0.56) HRH3POLBHDAC1ACHEBCHE
SCHEMBL16055301 0.82 ACHE (0.52) HRH3POLBHDAC1ACHEBCHE
SCHEMBL4139216 0.81 HRH3 (0.49) HRH3POLBHDAC1ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-12-29 US disclosed
WO-2021055936-A1 SMALL-MOLECULE INHIBITORS FOR THE Β-CATENIN/B-CELL LYMPHOMA 9 PROTEIN−PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2021-03-25 WO disclosed
EP-3107919-B1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT UNIV FLORIDA (US) 2021-01-27 EP disclosed
US-20160263125-A1 AMINO, AMIDO AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF NEW YORK UNIVERSITY 2016-09-15 US disclosed
US-9364472-B2 Amino, Amido and heterocyclic compounds as modulators of RAGE activity and uses thereof NEW YORK UNIVERSITY (US) 2016-06-14 US disclosed
US-9353078-B2 Amino, amido and heterocyclic compounds as modulators of rage activity and uses thereof NEW YORK UNIVERSITY (US) 2016-05-31 US disclosed
US-20160101096-A1 AMINO, AMIDO AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF NEW YORK UNIVERSITY 2016-04-14 US disclosed
WO-2015050984-A1 AMINO, AMIDO, AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF NEW YORK UNIVERSITY (US) 2015-04-09 WO disclosed
US-20150094307-A1 AMINO, AMIDO AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2015-04-02 US disclosed
EP-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 US disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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 (5 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-20150094307-A1 AMINO, AMIDO AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF AGER, IAPP, GPR119 HRH3 932/4885POLB 4423/4885HDAC1 4287/4885
US-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION BCL9, BCL9L, BCL6 HRH3 3208/4885POLB 4136/4885HDAC1 2176/4885
US-20160263125-A1 AMINO, AMIDO AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF AGER, IAPP, GPR119 HRH3 932/4885POLB 4423/4885HDAC1 4287/4885
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 HRH3 3725/4885POLB 2575/4885HDAC1 764/4885
US-20160101096-A1 AMINO, AMIDO AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF AGER, IAPP, GPR119 HRH3 932/4885POLB 4423/4885HDAC1 4287/4885

“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.