SCHEMBL13083

SCHEMBL13083

C[C@@H]1CCCN(Cc2ccccc2)C1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.66
CYP2C19 P33261 2/20 0.66
CYP2D6 P10635 2/20 0.66
ALDH1A1 P00352 2/20 0.66
CYP1A2 P05177 1/20 0.66
ACHE P22303 1/20 0.64
NPSR1 Q6W5P4 1/20 0.60
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.52
HRH4 Q9H3N8 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
HRH2 P25021 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
SCHEMBL5304179 1.00 CYP3A4 (0.66) CYP3A4CYP2C19CYP2D6ALDH1A1CYP1A2
SCHEMBL12717 1.00 CYP3A4 (0.66) CYP3A4CYP2C19CYP2D6ALDH1A1CYP1A2
SCHEMBL5851135 0.95 ACHE (0.62) CYP3A4CYP2C19CYP2D6ALDH1A1CYP1A2
SCHEMBL20343616 0.93 ACHE (0.60) CYP3A4CYP2C19CYP2D6ALDH1A1CYP1A2
SCHEMBL359069 0.89 ACHE (0.79) CYP3A4CYP2C19CYP2D6ALDH1A1CYP1A2
SCHEMBL1286699 0.89 ACHE (0.79) CYP3A4CYP2C19CYP2D6ALDH1A1CYP1A2
SCHEMBL358435 0.89 ACHE (0.79) CYP3A4CYP2C19CYP2D6ALDH1A1CYP1A2
SCHEMBL14543588 0.86 ACHE (0.86) CYP3A4CYP2C19CYP2D6ALDH1A1CYP1A2
SCHEMBL13727922 0.85 GAA (0.58) ALDH1A1KDM4EHRH4HRH3
SCHEMBL82814 0.85 HPGD (0.60) ALDH1A1ACHENPSR1HPGDHRH4

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
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed
WO-2023122581-A2 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-06-29 WO disclosed
EP-3555063-B1 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-09-16 EP disclosed
WO-2020046966-A1 TREATMENT OF ADENOCARCINOMAS WITH MAPK PATHWAY INHIBITORS KURA ONCOLOGY, INC. (US) 2020-03-05 WO disclosed
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2019-09-26 US disclosed
US-20190192517-A1 TREATMENT OF SQUAMOUS CELL CARCINOMAS WITH INHIBITORS OF ERK KURA ONCOLOGY, INC. 2019-06-27 US disclosed
US-10301317-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2019-05-28 US disclosed
WO-2018108704-A1 NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-21 WO disclosed
US-9951078-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2018-04-24 US disclosed
US-9951078-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2018-04-24 US disclosed
US-9242981-B2 Fused pyrazole derivatives as novel ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-07-04 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US 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 (7 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-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH1 CYP3A4 2341/4885CYP2C19 1193/4885CYP2D6 1736/4885
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA CYP3A4 2235/4885CYP2C19 1822/4885CYP2D6 3472/4885
US-10301317-B2 Inhibitors of ERK and methods of use MAP3K1, MAP3K2, MAP3K6 CYP3A4 4421/4885CYP2C19 4508/4885CYP2D6 3778/4885
US-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 CYP3A4 335/4885CYP2C19 944/4885CYP2D6 54/4885
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MAPK1, MAPK3, MAP3K1 CYP3A4 1177/4885CYP2C19 1323/4885CYP2D6 1363/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 CYP3A4 4421/4885CYP2C19 4508/4885CYP2D6 3778/4885
US-20190192517-A1 TREATMENT OF SQUAMOUS CELL CARCINOMAS WITH INHIBITORS OF ERK HRAS, TP53, MAP3K2 CYP3A4 4612/4885CYP2C19 4733/4885CYP2D6 4375/4885

“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.