SCHEMBL4406747

SCHEMBL4406747

CN1CCC2NCCC2C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
NCF1 P14598 1/20 0.32
SIGMAR1 Q99720 3/20 0.32
KDM1A O60341 1/20 0.32
GNAI3 P08754 3/20 0.30
GNAO1 P09471 3/20 0.30
GNAI1 P63096 3/20 0.30

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
SCHEMBL12605050 1.00 MBTD1 (0.34) MBTD1L3MBTL3NCF1SIGMAR1KDM1A
SCHEMBL19343106 0.89 MBTD1 (0.39) MBTD1L3MBTL3NCF1GNAI3GNAO1
SCHEMBL4124715 0.88 MBTD1 (0.39) MBTD1L3MBTL3NCF1SIGMAR1
SCHEMBL19343105 0.88 MBTD1 (0.39) MBTD1L3MBTL3
SCHEMBL23866134 0.87 MBTD1 (0.34) MBTD1L3MBTL3NCF1GNAI3GNAO1
SCHEMBL18967092 0.87 MBTD1 (0.34) MBTD1L3MBTL3NCF1GNAI3GNAO1
SCHEMBL15338322 0.87 MBTD1 (0.34) MBTD1L3MBTL3NCF1GNAI3GNAO1
SCHEMBL12560847 0.87 MBTD1 (0.34) MBTD1L3MBTL3NCF1GNAI3GNAO1
SCHEMBL18967101 0.87 MBTD1 (0.34) MBTD1L3MBTL3NCF1GNAI3GNAO1
Hydrochloric Acid SCHEMBL31430092 0.85 MBTD1 (0.33) MBTD1L3MBTL3NCF1SIGMAR1GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed
WO-2024127297-A1 3-FLUORO-4-HYDROXYBENZMIDE-CONTAINING INHIBITORS AND/OR DEGRADERS AND USES THEREOF PFIZER INC. (US) 2024-06-20 WO disclosed
EP-4310084-A1 PYRIDOPYRIMIDINE-BASED COMPOUND AND APPLICATION THEREOF Jinan University (CN) 2024-01-24 EP disclosed
WO-2023173017-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
WO-2023173014-A1 KRAS INHIBITORS AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
WO-2023173016-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
WO-2023163712-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-08-31 WO disclosed
WO-2023164611-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-08-31 WO disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS YOUNGMAN MICHAEL 2009-07-23 US disclosed
US-7531661-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-05-12 US disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS AQUINO CHRISTOPHER JOSEPH 2009-02-26 US disclosed
WO-2008152394-A1 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
WO-2008152390-A1 THIAZOLIOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
WO-2007072163-A2 PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-06-28 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 (4 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-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 MBTD1 2711/4885L3MBTL3 2454/4885NCF1 375/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MBTD1 4412/4885L3MBTL3 3576/4885NCF1 1800/4885
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CCL5, IDO1 MBTD1 2292/4885L3MBTL3 1942/4885NCF1 446/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A MBTD1 4070/4885L3MBTL3 2437/4885NCF1 1946/4885

“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.