SCHEMBL4409410

SCHEMBL4409410

Cc1nnn(CC(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
TOP2A P11388 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.31
LTA4H P09960 1/20 0.30
QPCT Q16769 1/20 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
SCHEMBL15706620 0.83 CSNK2A1 (0.46) TRPV1CNR1CNR2
SCHEMBL13088453 0.83 LTA4H (0.44) TRPV1CNR1CNR2LTA4H
Hydrochloric Acid SCHEMBL3068726 0.81 LTA4H (0.43) TRPV1CNR1CNR2LTA4H
SCHEMBL13528423 0.78 PSEN1 (0.33)
SCHEMBL4414681 0.77 TRPV1 (0.44) TRPV1CNR1CNR2TOP2ALTA4H
SCHEMBL4408824 0.76 TRPV1 (0.42) TRPV1CNR1CNR2TOP2ALTA4H
SCHEMBL4407682 0.76 TRPV1 (0.42) TRPV1CNR1CNR2TOP2A
SCHEMBL4404404 0.76 TRPV1 (0.42) TRPV1CNR1CNR2TOP2A
SCHEMBL12763765 0.76 TRPV1 (0.46) TRPV1CNR1CNR2TOP2ASMN1; SMN2
SCHEMBL4409005 0.74 TRPV1 (0.53) TRPV1CNR1CNR2TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059665-A1 DIMERIC COMPOUNDS AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 US disclosed
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 US disclosed
WO-2022198196-A1 INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2022-09-22 WO disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100016383-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOL DERIVATIVES HAVING PESTICIDAL PROPERTIES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-21 US disclosed
US-20100016383-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOL DERIVATIVES HAVING PESTICIDAL PROPERTIES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-21 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
US-7608631-B2 4-(3,3-dihalo-allyloxy) phenol derivatives having pesticidal properties SYNGENTA CROP PROTECTION, INC. (US) 2009-10-27 US disclosed
US-7608631-B2 4-(3,3-dihalo-allyloxy) phenol derivatives having pesticidal properties SYNGENTA CROP PROTECTION, INC. (US) 2009-10-27 US disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP 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-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS2, GYS1, PYGL TRPV1 4858/4885CNR1 4000/4885CNR2 4603/4885
US-20100016383-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOL DERIVATIVES HAVING PESTICIDAL PROPERTIES DDT, QSOX1, SCO2 TRPV1 2137/4885CNR1 706/4885CNR2 615/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 TRPV1 1565/4885CNR1 65/4885CNR2 106/4885
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 TRPV1 3981/4885CNR1 485/4885CNR2 798/4885

“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.